N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C30H24N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C30H24N3O2F |
| Smiles | OC(C(N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H24FN3O2/c31-26-17-15-22(16-18-26)20-34-21-23(27-13-7-8-14-28(27)34)19-32-33-29(35)30(36,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-19,21,36H,20H2,(H,33,35) |
| InChIK | QKGVPXQHRRBXRX-UHFFFAOYSA-N |
| TotalMolweight | 477.538 |
| Molweight | 477.538 |
| MonoisotopicMass | 477.185255 |
| CLogP | 5.1124 |
| CLogS | -5.719 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 367.18 |
| Relative PSA | 0.15246 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 5.5548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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