[1-(3-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
Molecular Formula : C22H18N3O2Cl | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |[1-(3-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.
MolName : [1-(3-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone |
MolecularFormula : C22H18N3O2Cl |
Smiles : O=C(c(nc1-c2cccc(Cl)c2)cc2c1[nH]c1c2cccc1)N1CCOCC1 |
InChI : InChI=1S/C22H18ClN3O2/c23-15-5-3-4-14(12-15)20-21-17(16-6-1-2-7-18(16)24-21)13-19(25-20)22(27)26-8-10-28-11-9-26/h1-7,12-13,24H,8-11H2 |
InChIK : FGGNZMZIZQAAHS-UHFFFAOYSA-N |
TotalMolweight : 391.857 |
Molweight : 391.857 |
MonoisotopicMass : 391.108754 |
CLogP : 4.0995 |
CLogS : -5.095 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 285.56 |
Relative PSA : 0.18052 |
PolarSurfaceArea : 58.22 |
Druglikeness : 2.9642 |
Mutagenic : low |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.42857 |
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 : 2 |
Amides : 1 |
Aromatic Nitrogens : 2 |
StereoCon : |