Atom Biology General Molecule Reaction Tools Trial Virus

<< < … 625 626 627 628 629 630 631 632 633 634 635 … > >>   ∑:16010  Sort:Rank

Molecule FYI-1001484
Molecule Summary: ID: FYI-1001484 SMILES: CC(C)C1=CC2=CC[C@@H]3[C@](C)(C CC[C@@]3(C)C(O)=O)[C@H]2CC1Received at FYIcenter.com on: 2022-08-16 2022-10-01, 1652🔥, 0💬

Molecule FYI-1001478
Molecule Summary: ID: FYI-1001478 SMILES: Received at FYIcenter.com on: 2022-08-12 2022-10-01, 1607🔥, 0💬

Molecule FYI-1001498
Molecule Summary: ID: FYI-1001498 SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[ C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17 2022-10-01, 1493🔥, 0💬

Molecule FYI-1001479
Molecule Summary: ID: FYI-1001479 SMILES: C=C(C)[C@@H](C)CC[C@@H](C)[C@H ]1CC[C@@]2(C)[C@@H]3CC[C@H]4C( C)(C)[C@@H](O)CC[C@@]45C[C@@]3 5CC[C@]12CReceived at FYIcenter.com on: 2022-08-15 2022-10-01, 1282🔥, 0💬

Molecule FYI-1001425
Molecule Summary: ID: FYI-1001425 SMILES: Received at FYIcenter.com on: 2022-07-25 2022-10-01, 1202🔥, 0💬

"obminimize" - Optimize Geometry/Energy of Molecule
What Is "obminimize" command? How to use it to optimize the geometry and minimize the energy for a given molecule? "obminimize" command is a command line tool provided in the Open Babel package that allows you to optimize the geometry and minimize the energy for a given molecule. Here is the user ma... 2022-08-27, 9746🔥, 2💬

💬 2022-08-20 FYIcenter.com: @Nathjanan, Yes. Your command is correct.

💬 2022-08-17 Nathjanan: Hello, How can I optimize small molecues? obminimize -ff MMFF94 -n 1000 *.mol2 Is this command correct? Thanks

Chemical Element #69: Thulium (Tm)
Atomic Number: 69, Element Symbol: Tm, Element Name: Thulium, Atomic Mass: 168.93422 u. 2022-08-27, 772🔥, 0💬

Chemical Element #68: Erbium (Er)
Atomic Number: 68, Element Symbol: Er, Element Name: Erbium, Atomic Mass: 167.26 u. 2022-08-27, 754🔥, 0💬

Chemical Element #70: Ytterbium (Yb)
Atomic Number: 70, Element Symbol: Yb, Element Name: Ytterbium, Atomic Mass: 173.0 u. 2022-08-27, 753🔥, 0💬

Molecule FYI-1001441
Molecule Summary: ID: FYI-1001441 SMILES: C(=O)(C3CN(C(=O)C1=C(C=CC=C1)C C2CO2)C4=C3C=CC=C4)OReceived at FYIcenter.com on: 2022-07-26 2022-08-27, 3372🔥, 0💬

Molecule FYI-1001437
Molecule Summary: ID: FYI-1001437 SMILES: CN(C)C(=O)C1=NC=C(N=C1)N2C(=NC (C)=N2)[C@H](C)NC(=O)C3C=C(C=C (OC(F)(F)F)C=3)C4CC4Received at FYIcenter.com on: 2022-07-25 2022-08-27, 3294🔥, 0💬

Molecule FYI-1001442
Molecule Summary: ID: FYI-1001442 SMILES: O=C(C(C)N(CC)CC)C1=CC=CC=C1.Cl Received at FYIcenter.com on: 2022-07-26 2022-08-27, 3289🔥, 0💬

Molecule FYI-1001438
Molecule Summary: ID: FYI-1001438 SMILES: ClC1N=CC(=NC=1)N2C(=NC(N(C)C)= N2)[C@H](C)NC(=O)C3=CC(=CC(=C3 )C(F)(F)F)C(F)(F)FReceived at FYIcenter.com on: 2022-07-25 2022-08-27, 3254🔥, 0💬

Molecule FYI-1001436
Molecule Summary: ID: FYI-1001436 SMILES: C1=CN=C(N=C1)N2C([C@H](C)NC(=O )C3=CC(OC(F)(F)F)=CC(S(=O)(C)= O)=C3)=NC(=N2)C4CC4Received at FYIcenter.com on: 2022-07-25 2022-08-27, 3221🔥, 0💬

Molecule FYI-1001439
Molecule Summary: ID: FYI-1001439 SMILES: ClC1=NC=C(N=C1)N2C(=NC=N2)[C@H ](C)NC(=O)C3=CC(OC(F)(F)F)=CC( OC(F)(F)F)=C3Received at FYIcenter.com on: 2022-07-25 2022-08-27, 3174🔥, 0💬

Molecule FYI-1001470
Molecule Summary: ID: FYI-1001470 SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C Received at FYIcenter.com on: 2022-08-04 2022-08-27, 2976🔥, 0💬

Molecule FYI-1001429
Molecule Summary: ID: FYI-1001429 SMILES: N#CC1C=NC(=CC=1)C2=C(N=CC=N2)[ C@H](C)NC(=O)C3C=C(C=C(OC(F)(F )F)C=3)C4(C#N)CC4Received at FYIcenter.com on: 2022-07-25 2022-08-27, 2953🔥, 0💬

Molecule FYI-1001443
Molecule Summary: ID: FYI-1001443 SMILES: C1OCC(S1)C1COCC1C1COCS1 Received at FYIcenter.com on: 2022-07-27 2022-08-27, 2923🔥, 0💬

Molecule FYI-1001433
Molecule Summary: ID: FYI-1001433 SMILES: CSC1N=C([C@H](C)NC(=O)C2=CC(=C C(=C2)C(F)(F)F)C(F)(F)F)N(N=1) C3=NC=CC=N3Received at FYIcenter.com on: 2022-07-25 2022-08-27, 2864🔥, 0💬

Molecule FYI-1001430
Molecule Summary: ID: FYI-1001430 SMILES: FC(F)(F)OC1=CC(=CC(Br)=C1)C(=O )N[C@@H](C)C2N(N=CN=2)C3C=C(C( C)F)N=CN=3Received at FYIcenter.com on: 2022-07-25 2022-08-27, 2853🔥, 0💬

Molecule FYI-1001448
Molecule Summary: ID: FYI-1001448 SMILES: Received at FYIcenter.com on: 2022-07-28 2022-08-27, 2482🔥, 0💬

Molecule FYI-1001434
Molecule Summary: ID: FYI-1001434 SMILES: ClC1=CN=C(N=C1)N2C(=NC(N(C)C)= N2)[C@H](C)N([H])C(=O)C3=CC(C( F)(F)F)=CC(C(F)(F)F)=C3Received at FYIcenter.com on: 2022-07-25 2022-08-27, 2461🔥, 0💬

Molecule FYI-1001447
Molecule Summary: ID: FYI-1001447 SMILES: C#CCN(C)[C@H](C)Cc1ccccc1 Received at FYIcenter.com on: 2022-07-28 2022-08-27, 2456🔥, 0💬

Molecule FYI-1001431
Molecule Summary: ID: FYI-1001431 SMILES: N#CC1C=NC(=CC=1)N2C(=NC(C)=N2) [C@H](C)NC(=O)C3C=C(C(F)F)C=C( OC(F)F)C=3Received at FYIcenter.com on: 2022-07-25 2022-08-27, 2414🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus