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

Formula:C21H18N3O2Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-chlorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(3-chlorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H18N3O2Cl
Smiles	OCCCNC(c(nc1-c2cccc(Cl)c2)cc2c1[nH]c1c2cccc1)=O
InChI	InChI=1S/C21H18ClN3O2/c22-14-6-3-5-13(11-14)19-20-16(15-7-1-2-8-17(15)24-20)12-18(25-19)21(27)23-9-4-10-26/h1-3,5-8,11-12,24,26H,4,9-10H2,(H,23,27)
InChIK	ZVDZGODRLWVWDT-UHFFFAOYSA-N
TotalMolweight	379.846
Molweight	379.846
MonoisotopicMass	379.108754
CLogP	3.798
CLogS	-5.453
H Acceptors	5
H Donors	3
TotalSurfaceArea	282.81
Relative PSA	0.22121
PolarSurfaceArea	78.01
Druglikeness	-0.4107
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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