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

Formula:C21H18N3O2F Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(4-fluorophenyl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H18N3O2F
Smiles	OCCCNC(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)=O
InChI	InChI=1S/C21H18FN3O2/c22-14-8-6-13(7-9-14)19-20-16(15-4-1-2-5-17(15)24-20)12-18(25-19)21(27)23-10-3-11-26/h1-2,4-9,12,24,26H,3,10-11H2,(H,23,27)
InChIK	QHJPVMYFNAVMKR-UHFFFAOYSA-N
TotalMolweight	363.391
Molweight	363.391
MonoisotopicMass	363.138305
CLogP	3.2928
CLogS	-5.031
H Acceptors	5
H Donors	3
TotalSurfaceArea	273.74
Relative PSA	0.22854
PolarSurfaceArea	78.01
Druglikeness	-1.8258
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
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
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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