N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]naphthalene-1-carboxamide
Formula:C28H21N4O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C28H21N4O2F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccc3ccccc23)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C28H21FN4O2/c29-21-12-14-22(15-13-21)31-27(34)18-33-17-20(24-9-3-4-11-26(24)33)16-30-32-28(35)25-10-5-7-19-6-1-2-8-23(19)25/h1-17H,18H2,(H,31,34)(H,32,35) |
| InChIK | HZGDYIQILFAGEA-UHFFFAOYSA-N |
| TotalMolweight | 464.499 |
| Molweight | 464.499 |
| MonoisotopicMass | 464.164854 |
| CLogP | 5.3111 |
| CLogS | -6.808 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 354.47 |
| Relative PSA | 0.19009 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 5.4198 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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