N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
Formula:C36H29N3O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide |
| MolecularFormula | C36H29N3O |
| Smiles | O=C(CCn(c1c2cccc1)c(-c1ccccc1)c2-c1ccccc1)N/N=C\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C36H29N3O/c40-33(38-37-24-29-21-20-27-19-18-26-14-9-16-30(29)34(26)27)22-23-39-32-17-8-7-15-31(32)35(25-10-3-1-4-11-25)36(39)28-12-5-2-6-13-28/h1-17,20-21,24H,18-19,22-23H2,(H,38,40) |
| InChIK | WXJSZWINSGOHSQ-UHFFFAOYSA-N |
| TotalMolweight | 519.646 |
| Molweight | 519.646 |
| MonoisotopicMass | 519.231062 |
| CLogP | 8.3994 |
| CLogS | -9.668 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 406.45 |
| Relative PSA | 0.1055 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.4281 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 31 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
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