N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C30H27N4OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C30H27N4OCl
Smiles	O=C(c(nc1-c2cccc(Cl)c2)cc2c1[nH]c1c2cccc1)NC1CCN(Cc2ccccc2)CC1
InChI	InChI=1S/C30H27ClN4O/c31-22-10-6-9-21(17-22)28-29-25(24-11-4-5-12-26(24)33-29)18-27(34-28)30(36)32-23-13-15-35(16-14-23)19-20-7-2-1-3-8-20/h1-12,17-18,23,33H,13-16,19H2,(H,32,36)
InChIK	NQWUSEVHXKLKSY-UHFFFAOYSA-N
TotalMolweight	495.024
Molweight	495.024
MonoisotopicMass	494.187338
CLogP	5.7832
CLogS	-6.9
H Acceptors	5
H Donors	2
TotalSurfaceArea	373.04
Relative PSA	0.1421
PolarSurfaceArea	61.02
Druglikeness	8.0883
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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