N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C28H20N3O3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C28H20N3O3F |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C28H20FN3O3/c29-23-12-10-20(11-13-23)25-15-14-24(35-25)17-31-32-28(33)22-8-6-19(7-9-22)18-34-26-5-1-3-21-4-2-16-30-27(21)26/h1-17H,18H2,(H,32,33) |
| InChIK | GZURBBNUZKGTBB-UHFFFAOYSA-N |
| TotalMolweight | 465.483 |
| Molweight | 465.483 |
| MonoisotopicMass | 465.14887 |
| CLogP | 5.9054 |
| CLogS | -7.542 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.67 |
| Relative PSA | 0.19765 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | 4.9087 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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