N-[(E)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-4-benzamidobenzamide
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-4-benzamidobenzamide is a drug-like molecule.
| MolName | N-[(E)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-4-benzamidobenzamide |
| MolecularFormula | C23H19N3O3 |
| Smiles | NC(/C(/NC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C23H19N3O3/c24-21(27)20(15-16-7-3-1-4-8-16)26-23(29)18-11-13-19(14-12-18)25-22(28)17-9-5-2-6-10-17/h1-15H,(H2,24,27)(H,25,28)(H,26,29) |
| InChIK | DNROSWGRCHBPSE-UHFFFAOYSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.5111 |
| CLogS | -4.962 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 302.18 |
| Relative PSA | 0.25584 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 3.1506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
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1 - N-[(E)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-4-benzamidobenzamide | 2 - N-[(E)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-4-benzamidobenzamide
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