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

Formula:C28H23N3OCl2 Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C28H23N3OCl2
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C28H23Cl2N3O/c29-20-12-11-19(23(30)16-20)14-15-31-28(34)26-17-22-21-8-4-5-9-24(21)33-27(22)25(32-26)13-10-18-6-2-1-3-7-18/h1-9,11-12,16-17,33H,10,13-15H2,(H,31,34)
InChIK	HPZYDTQAMOVLHP-UHFFFAOYSA-N
TotalMolweight	488.417
Molweight	488.417
MonoisotopicMass	487.121816
CLogP	6.8234
CLogS	-7.445
H Acceptors	4
H Donors	2
TotalSurfaceArea	365.4
Relative PSA	0.13536
PolarSurfaceArea	57.78
Druglikeness	0.41459
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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