2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]-3-phenylpropanamide
Formula:C16H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]-3-phenylpropanamide is a drug-like molecule.
| MolName | 2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]-3-phenylpropanamide |
| MolecularFormula | C16H17N3O3S |
| Smiles | NC(Cc1ccccc1)C(NC(C(/C1=N/O)O)c2c1scc2)=O |
| InChI | InChI=1S/C16H17N3O3S/c17-11(8-9-4-2-1-3-5-9)16(21)18-12-10-6-7-23-15(10)13(19-22)14(12)20/h1-7,11-12,14,20,22H,8,17H2,(H,18,21) |
| InChIK | WPZDPSRIOXTUPX-UHFFFAOYSA-N |
| TotalMolweight | 331.395 |
| Molweight | 331.395 |
| MonoisotopicMass | 331.099062 |
| CLogP | 1.3206 |
| CLogS | -3.413 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 240.12 |
| Relative PSA | 0.40746 |
| PolarSurfaceArea | 136.18 |
| Druglikeness | 0.20426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - 2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]-3-phenylpropanamide | 2 - 2-amino-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]-3-phenylpropanamide
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