N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H22N3OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H22N3OCl
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc1cccc(Cl)c1
InChI	InChI=1S/C27H22ClN3O/c28-20-10-6-9-19(15-20)17-29-27(32)25-16-22-21-11-4-5-12-23(21)31-26(22)24(30-25)14-13-18-7-2-1-3-8-18/h1-12,15-16,31H,13-14,17H2,(H,29,32)
InChIK	WKHWMGRVAHLXEJ-UHFFFAOYSA-N
TotalMolweight	439.945
Molweight	439.945
MonoisotopicMass	439.145139
CLogP	5.7873
CLogS	-6.597
H Acceptors	4
H Donors	2
TotalSurfaceArea	336.22
Relative PSA	0.14711
PolarSurfaceArea	57.78
Druglikeness	0.20072
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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