(2E)-2-cyano-2-(3-phenyl-2,3-dihydroinden-1-ylidene)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C31H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-cyano-2-(3-phenyl-2,3-dihydroinden-1-ylidene)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | (2E)-2-cyano-2-(3-phenyl-2,3-dihydroinden-1-ylidene)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C31H23N3O |
| Smiles | N#C/C(/C(N/N=C\c(cc1)ccc1-c1ccccc1)=O)=C(/CC1c2ccccc2)\c2c1cccc2 |
| InChI | InChI=1S/C31H23N3O/c32-20-30(29-19-28(25-11-5-2-6-12-25)26-13-7-8-14-27(26)29)31(35)34-33-21-22-15-17-24(18-16-22)23-9-3-1-4-10-23/h1-18,21,28H,19H2,(H,34,35)/t28-/m0/s1 |
| InChIK | GPTFVRJDPXLHPB-NDEPHWFRSA-N |
| TotalMolweight | 453.544 |
| Molweight | 453.544 |
| MonoisotopicMass | 453.184112 |
| CLogP | 6.0904 |
| CLogS | -7.646 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 363.9 |
| Relative PSA | 0.13622 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | 0.91385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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1 - (2E)-2-cyano-2-(3-phenyl-2,3-dihydroinden-1-ylidene)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - (2E)-2-cyano-2-(3-phenyl-2,3-dihydroinden-1-ylidene)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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