N-(oxolan-2-ylmethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C23H21N3O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(oxolan-2-ylmethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | N-(oxolan-2-ylmethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C23H21N3O2 |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCC1OCCC1 |
| InChI | InChI=1S/C23H21N3O2/c27-23(24-14-16-9-6-12-28-16)20-13-18-17-10-4-5-11-19(17)25-22(18)21(26-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,25H,6,9,12,14H2,(H,24,27)/t16-/m1/s1 |
| InChIK | HXHDEWGIHBJWNI-MRXNPFEDSA-N |
| TotalMolweight | 371.439 |
| Molweight | 371.439 |
| MonoisotopicMass | 371.163377 |
| CLogP | 3.5578 |
| CLogS | -5.339 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.8 |
| Relative PSA | 0.20951 |
| PolarSurfaceArea | 67.01 |
| Druglikeness | 0.30808 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-(oxolan-2-ylmethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - N-(oxolan-2-ylmethyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off