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

Formula:C21H19N3O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none N-(3-hydroxypropyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	N-(3-hydroxypropyl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H19N3O2
Smiles	OCCCNC(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)=O
InChI	InChI=1S/C21H19N3O2/c25-12-6-11-22-21(26)18-13-16-15-9-4-5-10-17(15)23-20(16)19(24-18)14-7-2-1-3-8-14/h1-5,7-10,13,23,25H,6,11-12H2,(H,22,26)
InChIK	WJPGICGLHKWSJR-UHFFFAOYSA-N
TotalMolweight	345.401
Molweight	345.401
MonoisotopicMass	345.147727
CLogP	3.192
CLogS	-4.717
H Acceptors	5
H Donors	3
TotalSurfaceArea	267.39
Relative PSA	0.23397
PolarSurfaceArea	78.01
Druglikeness	-0.48581
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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