[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
Formula:C22H18N3O2F
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.
| MolName | [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone |
| MolecularFormula | C22H18N3O2F |
| Smiles | O=C(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)N1CCOCC1 |
| InChI | InChI=1S/C22H18FN3O2/c23-15-7-5-14(6-8-15)20-21-17(16-3-1-2-4-18(16)24-21)13-19(25-20)22(27)26-9-11-28-12-10-26/h1-8,13,24H,9-12H2 |
| InChIK | ZZBHHFHSWCQMDE-UHFFFAOYSA-N |
| TotalMolweight | 375.402 |
| Molweight | 375.402 |
| MonoisotopicMass | 375.138305 |
| CLogP | 3.5943 |
| CLogS | -4.673 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.49 |
| Relative PSA | 0.18644 |
| PolarSurfaceArea | 58.22 |
| Druglikeness | 1.5864 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone | 2 - [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
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