N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Formula:C24H17N2O3F
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-1-(4-fluorophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C24H17N2O3F |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1F)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H17FN2O3/c25-19-10-7-16(8-11-19)14-21(27-24(29)22-6-3-13-30-22)23(28)26-20-12-9-17-4-1-2-5-18(17)15-20/h1-15H,(H,26,28)(H,27,29) |
| InChIK | DHCPIWUBIPGGAR-UHFFFAOYSA-N |
| TotalMolweight | 400.408 |
| Molweight | 400.408 |
| MonoisotopicMass | 400.122321 |
| CLogP | 4.9077 |
| CLogS | -6.475 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 306.55 |
| Relative PSA | 0.20587 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.4766 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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