N-[3-[(E)-3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
Formula:C29H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(E)-3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide is not a drug-like molecule.
| MolName | N-[3-[(E)-3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide |
| MolecularFormula | C29H22N2O3 |
| Smiles | O=C(/C=C/c1cc(NC(c2ccccc2)=O)ccc1)c1cccc(NC(c2ccccc2)=O)c1 |
| InChI | InChI=1S/C29H22N2O3/c32-27(24-14-8-16-26(20-24)31-29(34)23-12-5-2-6-13-23)18-17-21-9-7-15-25(19-21)30-28(33)22-10-3-1-4-11-22/h1-20H,(H,30,33)(H,31,34) |
| InChIK | IPWLHYSXJOKDFW-UHFFFAOYSA-N |
| TotalMolweight | 446.505 |
| Molweight | 446.505 |
| MonoisotopicMass | 446.163043 |
| CLogP | 5.5988 |
| CLogS | -6.864 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 355.21 |
| Relative PSA | 0.17466 |
| PolarSurfaceArea | 75.27 |
| Druglikeness | 1.9919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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