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Molecule FYI-1000995
Molecule Summary: ID: FYI-1000995 SMILES: Cc1cccc(-c2ccccc2-c2ccc3ncc(C( =O)O)n3c2)n1Received at FYIcenter.com on: 2021-09-14
2021-12-28, 764🔥, 0💬

"babel ... -o svg" - Two "svg" Tag Levels
Why am getting two "svg" tag levels in SVG source code generated by the "babel" command? If you are using Open Babel 2.4.1 or higher, you will notice that there are two "svg" tag levels in SVG source code generated by the "babel" command. The main reason for using two "svg" tag levels for including ...
2020-07-22, 764🔥, 0💬

Molecule FYI-1003055
Molecule Summary: ID: FYI-1003055 Names: InChIKey: VYMGIYDWURNKAY-UHFFFAOYSA-N SMILES: N#Cc3cc(c2ccc(NC1CC(CS(N)(=O)= O)C1)nc2N)ccc3OReceived at FYIcenter.com on: 2023-05-10
2023-05-31, 763🔥, 0💬

Molecule FYI-1002508
Molecule Summary: ID: FYI-1002508 Names: InChIKey: PYDWRLNPMMKKCI-UHFFFAOYSA-N SMILES: Fc4ccc(c2nc1sccn1c2c3ccncc3)cc 4Received at FYIcenter.com on: 2023-04-05
2023-04-26, 763🔥, 0💬

Molecule FYI-1001830
Molecule Summary: ID: FYI-1001830 SMILES: C1=CC=C(C=C1)I=O Received at FYIcenter.com on: 2022-12-20
2023-01-06, 763🔥, 0💬

"babel" Command Option Argument Syntax
How to write "babel" command option argument properly? What's the difference between "-isdf" and "-i sdf"? There is no difference between "-isdf" and "-i sdf". Both are valid "babel" option "-i" with an argument of "sdf". If a "babel" command option takes an argument, you can specify the argument in...
2020-12-26, 763🔥, 0💬

Molecule FYI-1000381
Molecule Summary: ID: FYI-1000381 SMILES: Cl/C/1=C/C=C\\N=Cl1 Received at FYIcenter.com on: 2021-04-30
2021-06-20, 762🔥, 0💬

What Is PK (Pharmacokinetic)
What Is PK (Pharmacokinetic)? PK (Pharmacokinetics) describes the drug concentration-time courses in body fluids resulting from administration of a certain drug dose. More precisely, PK describes how the body reacts to a drug in terms of ADME (Absorption, Distribution, Metabolism, and Excretion). In...
2021-05-16, 760🔥, 0💬

Molecule FYI-1000300
Molecule Summary: ID: FYI-1000300 SMILES: O=Cc1ccc(CO)oc1 Received at FYIcenter.com on: 2021-03-21
2022-05-31, 759🔥, 0💬

Molecule FYI-1003063
Molecule Summary: ID: FYI-1003063 Names: InChIKey: NDQUQGJYLDWDTA-ONGXEEELSA-N SMILES: NC(=O)[C@H]4CC[C@H](Nc3cnn2c(c 1cc(F)c(O)c(F)c1)cnc2c3)C4Received at FYIcenter.com on: 2023-05-10
2023-06-19, 758🔥, 0💬

Molecule FYI-1002503
Molecule Summary: ID: FYI-1002503 Names: InChIKey: XGJHFMDABHRCEO-UHFFFAOYSA-N SMILES: CCc3nc(c1ccc(F)cc1)c(c2ccnc(N( C(C)=O)C(C)=O)c2)s3Received at FYIcenter.com on: 2023-04-05
2023-04-26, 757🔥, 0💬

Molecule FYI-1000303
Molecule Summary: ID: FYI-1000303 SMILES: O=[Al]O[Al]=O.C1=CC2=CC3=CC=CC =C3C=C2C=C1Received at FYIcenter.com on: 2021-03-31
2022-07-06, 756🔥, 1💬

Molecule FYI-1000962
Molecule Summary: ID: FYI-1000962 SMILES: CCCc1ccccc1NCC(C)c1ccc(N[SH](C )(=O)Nc2cccnc2C(N)=O)cn1Received at FYIcenter.com on: 2021-08-19
2021-11-13, 756🔥, 0💬

Molecule FYI-1002211
Molecule Summary: ID: FYI-1002211 Names: InChIKey: GYQJMOSZNHFJLQ-XQTDGIQOSA-O SMILES: CC[C@@H]2CN(C(=O)C1CCC1C(F)(F) F)CCN2c4ccc(c3ccccc3OC)nc4C(=O )NC5C[N+]6(C(CC(=O)O)C(=O)O)CC C5CC6Received at FYIcenter.com on: 2023-02-05
2023-02-28, 755🔥, 0💬

Molecular Exact Mass Calculator
How to calulate the exact mass of molecule from a formula? To help you calculating the exact mass for a given molecular formula, FYIcenter.com has designed this online tool. All you need to do is to enter a molecular formula, and click the "Go" button below. The exact mass of molecule will be presen...
2021-07-25, 753🔥, 0💬

Molecule FYI-1002910
Molecule Summary: ID: FYI-1002910 Names: InChIKey: ZIJXBGRPNLXMSP-UHFFFAOYSA-N SMILES: COC(=O)c2cc(S(N)(=O)=O)c(SCc1c cccc1)cc2SCc3ccccc3Received at FYIcenter.com on: 2023-04-25
2023-05-09, 752🔥, 0💬

Molecule FYI-1002890
Molecule Summary: ID: FYI-1002890 Names: InChIKey: DZABBYYPQHZLHW-UHFFFAOYSA-N SMILES: NS(=O)(=O)c2cc(C(=O)NCCCC(=O)O )c(S(=O)(=O)Cc1ccccc1)cc2ClReceived at FYIcenter.com on: 2023-04-25
2023-05-09, 752🔥, 0💬

Molecule FYI-1002255
Molecule Summary: ID: FYI-1002255 Names: InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N SMILES: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c 2c7c3c(C(C)=CC(=O)C3C4O)c5C(C) =CC(=O)C(c5c67)C8OReceived at FYIcenter.com on: 2023-02-12
2023-03-07, 751🔥, 0💬

Molecule FYI-1002063
Molecule Summary: ID: FYI-1002063 Names: InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N SMILES: CCC(C)CO Received at FYIcenter.com on: 2023-01-24
2023-02-04, 751🔥, 0💬

Molecule FYI-1002068
Molecule Summary: ID: FYI-1002068 Names: InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N SMILES: C1CCCCC1 Received at FYIcenter.com on: 2023-01-25
2023-01-25, 751🔥, 0💬

Molecule FYI-1002506
Molecule Summary: ID: FYI-1002506 Names: InChIKey: VUWDGUFRZHAEHB-UHFFFAOYSA-N SMILES: Cc2[nH]nc(c1ccc(F)cc1)c2c3ccnc c3Received at FYIcenter.com on: 2023-04-05
2023-04-26, 750🔥, 0💬

Molecule FYI-1002880
Molecule Summary: ID: FYI-1002880 Names: InChIKey: KICJCRSMGGMWMV-UHFFFAOYSA-N SMILES: COC(=O)c2cc(S(N)(=O)=O)c(SCCc1 ccccc1)cc2ClReceived at FYIcenter.com on: 2023-04-25
2023-05-09, 749🔥, 0💬

Molecule FYI-1002072
Molecule Summary: ID: FYI-1002072 Names: InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N SMILES: Nc1cc[nH]c(=O)n1 Received at FYIcenter.com on: 2023-01-25
2023-01-25, 749🔥, 0💬

Substructure Search with Fingerprints
Can I do Substructure Search with fingerprints using Open Babel? Yes, you can do Substructure Search with fingerprints using Open Babel. All you have to do is to take substructure as the query molecule and run a similarity search using the fingerprint output option "-o fpt ". When Open Babel calcula...
2020-12-02, 749🔥, 0💬

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