N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-methylbenzamide
Formula:C25H25N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-methylbenzamide is a drug-like molecule.
| MolName | N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-methylbenzamide |
| MolecularFormula | C25H25N3O2 |
| Smiles | Cc(cccc1)c1C(Nc(cc1)ccc1N(CC1)CCN1C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H25N3O2/c1-19-7-5-6-10-23(19)24(29)26-21-11-13-22(14-12-21)27-15-17-28(18-16-27)25(30)20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,29) |
| InChIK | AUVBTAIMHOUPQB-UHFFFAOYSA-N |
| TotalMolweight | 399.493 |
| Molweight | 399.493 |
| MonoisotopicMass | 399.194677 |
| CLogP | 4.4299 |
| CLogS | -4.529 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.14 |
| Relative PSA | 0.1421 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 7.1533 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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