2-[(2Z)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]benzamide
Formula:C14H17N5O2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(2Z)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]benzamide is a drug-like molecule.
| MolName | 2-[(2Z)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]benzamide |
| MolecularFormula | C14H17N5O2S |
| Smiles | NC(/C(/C(N1CCCC1)=O)=N\Nc(cccc1)c1C(N)=O)=S |
| InChI | InChI=1S/C14H17N5O2S/c15-12(20)9-5-1-2-6-10(9)17-18-11(13(16)22)14(21)19-7-3-4-8-19/h1-2,5-6,17H,3-4,7-8H2,(H2,15,20)(H2,16,22) |
| InChIK | JGUVKLCXAYOUGN-UHFFFAOYSA-N |
| TotalMolweight | 319.388 |
| Molweight | 319.388 |
| MonoisotopicMass | 319.110295 |
| CLogP | 1.2477 |
| CLogS | -2.483 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 244.78 |
| Relative PSA | 0.45404 |
| PolarSurfaceArea | 145.9 |
| Druglikeness | 6.0294 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(2Z)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]benzamide | 2 - 2-[(2Z)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]benzamide
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