benzyl (E)-2-benzamido-3-naphthalen-1-ylprop-2-enoate
Formula:C27H21NO3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
benzyl (E)-2-benzamido-3-naphthalen-1-ylprop-2-enoate is not a drug-like molecule.
| MolName | benzyl (E)-2-benzamido-3-naphthalen-1-ylprop-2-enoate |
| MolecularFormula | C27H21NO3 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccc2ccccc12)OCc1ccccc1 |
| InChI | InChI=1S/C27H21NO3/c29-26(22-13-5-2-6-14-22)28-25(27(30)31-19-20-10-3-1-4-11-20)18-23-16-9-15-21-12-7-8-17-24(21)23/h1-18H,19H2,(H,28,29) |
| InChIK | MVSGOROJTXWLIM-UHFFFAOYSA-N |
| TotalMolweight | 407.468 |
| Molweight | 407.468 |
| MonoisotopicMass | 407.152144 |
| CLogP | 5.8018 |
| CLogS | -6.431 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.81 |
| Relative PSA | 0.14727 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | 2.4233 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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