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

Formula:C28H24N3OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C28H24N3OCl
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCCc(cc1)ccc1Cl
InChI	InChI=1S/C28H24ClN3O/c29-21-13-10-20(11-14-21)16-17-30-28(33)26-18-23-22-8-4-5-9-24(22)32-27(23)25(31-26)15-12-19-6-2-1-3-7-19/h1-11,13-14,18,32H,12,15-17H2,(H,30,33)
InChIK	GXUDEKQQYJDQHY-UHFFFAOYSA-N
TotalMolweight	453.972
Molweight	453.972
MonoisotopicMass	453.160789
CLogP	6.2174
CLogS	-6.709
H Acceptors	4
H Donors	2
TotalSurfaceArea	349.98
Relative PSA	0.14132
PolarSurfaceArea	57.78
Druglikeness	0.41459
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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