N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C25H27N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | N-(3-morpholin-4-ium-4-ylpropyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C25H27N4O2 |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C25H26N4O2/c30-25(26-11-6-12-29-13-15-31-16-14-29)22-17-20-19-9-4-5-10-21(19)27-24(20)23(28-22)18-7-2-1-3-8-18/h1-5,7-10,17,27H,6,11-16H2,(H,26,30)/p+1 |
| InChIK | MMZHVMRZTVKFPH-UHFFFAOYSA-O |
| TotalMolweight | 415.515 |
| Molweight | 415.515 |
| MonoisotopicMass | 415.213401 |
| CLogP | 1.2715 |
| CLogS | -4.414 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 336.92 |
| Relative PSA | 0.22869 |
| PolarSurfaceArea | 71.45 |
| Druglikeness | -0.6755 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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