N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C31H25N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C31H25N4O3F |
| Smiles | OC(C(N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C31H25FN4O3/c32-25-15-17-26(18-16-25)34-29(37)21-36-20-22(27-13-7-8-14-28(27)36)19-33-35-30(38)31(39,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-20,39H,21H2,(H,34,37)(H,35,38) |
| InChIK | TUEAJBWFFIGZOU-UHFFFAOYSA-N |
| TotalMolweight | 520.563 |
| Molweight | 520.563 |
| MonoisotopicMass | 520.191069 |
| CLogP | 4.397 |
| CLogS | -5.908 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 396.39 |
| Relative PSA | 0.20303 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 6.1812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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