[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
Molecular 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 : |