(E)-3-(furan-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
Formula:C20H23N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]prop-2-enamide |
| MolecularFormula | C20H23N3O2S |
| Smiles | O=C(/C=C/c1ccco1)NC(Nc1ccc(CN2CCCCC2)cc1)=S |
| InChI | InChI=1S/C20H23N3O2S/c24-19(11-10-18-5-4-14-25-18)22-20(26)21-17-8-6-16(7-9-17)15-23-12-2-1-3-13-23/h4-11,14H,1-3,12-13,15H2,(H2,21,22,24,26) |
| InChIK | HZMMNEMIISOGTB-UHFFFAOYSA-N |
| TotalMolweight | 369.488 |
| Molweight | 369.488 |
| MonoisotopicMass | 369.151097 |
| CLogP | 3.2633 |
| CLogS | -4.195 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 301.95 |
| Relative PSA | 0.27031 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | 0.49538 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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