(E)-N-(1H-benzimidazol-2-ylmethyl)-3-phenylsulfanylprop-2-enamide
Formula:C17H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1H-benzimidazol-2-ylmethyl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1H-benzimidazol-2-ylmethyl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C17H15N3OS |
| Smiles | O=C(/C=C/Sc1ccccc1)NCc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C17H15N3OS/c21-17(10-11-22-13-6-2-1-3-7-13)18-12-16-19-14-8-4-5-9-15(14)20-16/h1-11H,12H2,(H,18,21)(H,19,20) |
| InChIK | REMOLLAPFNCYFM-UHFFFAOYSA-N |
| TotalMolweight | 309.392 |
| Molweight | 309.392 |
| MonoisotopicMass | 309.093582 |
| CLogP | 2.3813 |
| CLogS | -3.197 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 242.91 |
| Relative PSA | 0.27562 |
| PolarSurfaceArea | 83.08 |
| Druglikeness | 0.50967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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