N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C29H23N4O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C29H23N4O2F |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2 |
| InChI | InChI=1S/C29H23FN4O2/c30-23-12-14-24(15-13-23)32-29(36)19-34-18-22(26-10-3-4-11-27(26)34)17-31-33-28(35)16-21-8-5-7-20-6-1-2-9-25(20)21/h1-15,17-18H,16,19H2,(H,32,36)(H,33,35) |
| InChIK | VCWHFJCWIPEVOX-UHFFFAOYSA-N |
| TotalMolweight | 478.526 |
| Molweight | 478.526 |
| MonoisotopicMass | 478.180504 |
| CLogP | 5.3092 |
| CLogS | -6.773 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 368.23 |
| Relative PSA | 0.18298 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 5.3856 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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