N-[(3-chlorophenyl)methyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C25H18N3OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(3-chlorophenyl)methyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(3-chlorophenyl)methyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C25H18N3OCl |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc1cccc(Cl)c1 |
| InChI | InChI=1S/C25H18ClN3O/c26-18-10-6-7-16(13-18)15-27-25(30)22-14-20-19-11-4-5-12-21(19)28-24(20)23(29-22)17-8-2-1-3-9-17/h1-14,28H,15H2,(H,27,30) |
| InChIK | ZSHXGIOOATXNPO-UHFFFAOYSA-N |
| TotalMolweight | 411.891 |
| Molweight | 411.891 |
| MonoisotopicMass | 411.113839 |
| CLogP | 5.2821 |
| CLogS | -6.713 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 308.7 |
| Relative PSA | 0.16022 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 1.3541 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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