(E)-3-[4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
Formula:C31H27N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile |
| MolecularFormula | C31H27N3O2 |
| Smiles | N#C/C(/C(N(CC1)CCN1c1ccccc1)=O)=C\c(cc1)ccc1OCc1cc2ccccc2cc1 |
| InChI | InChI=1S/C31H27N3O2/c32-22-28(31(35)34-18-16-33(17-19-34)29-8-2-1-3-9-29)20-24-11-14-30(15-12-24)36-23-25-10-13-26-6-4-5-7-27(26)21-25/h1-15,20-21H,16-19,23H2 |
| InChIK | PKTGJDKBUUMCDZ-UHFFFAOYSA-N |
| TotalMolweight | 473.574 |
| Molweight | 473.574 |
| MonoisotopicMass | 473.210327 |
| CLogP | 5.6622 |
| CLogS | -6.262 |
| H Acceptors | 5 |
| TotalSurfaceArea | 377.45 |
| Relative PSA | 0.11578 |
| PolarSurfaceArea | 56.57 |
| Druglikeness | 2.89 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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