[1-(3-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone

Formula:C22H18N3O2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none [1-(3-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.

MolName	[1-(3-bromophenyl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
MolecularFormula	C22H18N3O2Br
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)N1CCOCC1
InChI	InChI=1S/C22H18BrN3O2/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	OGAVGOCFKJERIK-UHFFFAOYSA-N
TotalMolweight	436.308
Molweight	436.308
MonoisotopicMass	435.058238
CLogP	4.2187
CLogS	-5.193
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.77
Relative PSA	0.17852
PolarSurfaceArea	58.22
Druglikeness	1.1364
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

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