(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
Formula:C18H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide |
| MolecularFormula | C18H15N3OS |
| Smiles | N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c1cscc1 |
| InChI | InChI=1S/C18H15N3OS/c19-10-15(9-13-6-8-23-12-13)18(22)20-7-5-14-11-21-17-4-2-1-3-16(14)17/h1-4,6,8-9,11-12,21H,5,7H2,(H,20,22) |
| InChIK | ZOUFPUUPQVCYCF-UHFFFAOYSA-N |
| TotalMolweight | 321.403 |
| Molweight | 321.403 |
| MonoisotopicMass | 321.093582 |
| CLogP | 2.9516 |
| CLogS | -4.123 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256.28 |
| Relative PSA | 0.28254 |
| PolarSurfaceArea | 96.92 |
| Druglikeness | -0.6608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide | 2 - (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
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