1-phenyl-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C27H23N3O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.
| MolName | 1-phenyl-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C27H23N3O |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCCCc1ccccc1 |
| InChI | InChI=1S/C27H23N3O/c31-27(28-17-9-12-19-10-3-1-4-11-19)24-18-22-21-15-7-8-16-23(21)29-26(22)25(30-24)20-13-5-2-6-14-20/h1-8,10-11,13-16,18,29H,9,12,17H2,(H,28,31) |
| InChIK | FOAGZLIQMRAMQG-UHFFFAOYSA-N |
| TotalMolweight | 405.5 |
| Molweight | 405.5 |
| MonoisotopicMass | 405.184112 |
| CLogP | 5.5606 |
| CLogS | -6.359 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 320.8 |
| Relative PSA | 0.15418 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | -0.83889 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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