N-[(2S)-2-hydroxy-2-phenylethyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C26H21N3O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(2S)-2-hydroxy-2-phenylethyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(2S)-2-hydroxy-2-phenylethyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C26H21N3O2 |
| Smiles | O[C@H](CNC(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)=O)c1ccccc1 |
| InChI | InChI=1S/C26H21N3O2/c30-23(17-9-3-1-4-10-17)16-27-26(31)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1-15,23,28,30H,16H2,(H,27,31)/t23-/m1/s1 |
| InChIK | BERBVAKRLZOCFF-HSZRJFAPSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 4.0361 |
| CLogS | -5.541 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 312.13 |
| Relative PSA | 0.20043 |
| PolarSurfaceArea | 78.01 |
| Druglikeness | 3.1866 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2S)-2-hydroxy-2-phenylethyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - N-[(2S)-2-hydroxy-2-phenylethyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
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