N-(2-hydroxyethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C20H17N3O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(2-hydroxyethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | N-(2-hydroxyethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C20H17N3O2 |
| Smiles | OCCNC(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)=O |
| InChI | InChI=1S/C20H17N3O2/c24-11-10-21-20(25)17-12-15-14-8-4-5-9-16(14)22-19(15)18(23-17)13-6-2-1-3-7-13/h1-9,12,22,24H,10-11H2,(H,21,25) |
| InChIK | MTRRSSCWFYIGSN-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 2.7376 |
| CLogS | -4.447 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 253.63 |
| Relative PSA | 0.24666 |
| PolarSurfaceArea | 78.01 |
| Druglikeness | 1.3487 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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