4-benzamido-N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Formula:C30H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-benzamido-N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | 4-benzamido-N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C30H25N3O3 |
| Smiles | O=C(/C(/NC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=C\c1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C30H25N3O3/c34-28(24-14-8-3-9-15-24)32-26-18-16-25(17-19-26)29(35)33-27(20-22-10-4-1-5-11-22)30(36)31-21-23-12-6-2-7-13-23/h1-20H,21H2,(H,31,36)(H,32,34)(H,33,35) |
| InChIK | DNZAQJFNCPPRFI-UHFFFAOYSA-N |
| TotalMolweight | 475.547 |
| Molweight | 475.547 |
| MonoisotopicMass | 475.189592 |
| CLogP | 5.2807 |
| CLogS | -6.201 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 378.64 |
| Relative PSA | 0.19412 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | 3.4137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 3 |
| StereoCon |
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