1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C22H19N3O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C22H19N3O4
Smiles	OCCCNC(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)=O
InChI	InChI=1S/C22H19N3O4/c26-9-3-8-23-22(27)17-11-15-14-4-1-2-5-16(14)24-21(15)20(25-17)13-6-7-18-19(10-13)29-12-28-18/h1-2,4-7,10-11,24,26H,3,8-9,12H2,(H,23,27)
InChIK	GDTXRIMSCLBZKY-UHFFFAOYSA-N
TotalMolweight	389.41
Molweight	389.41
MonoisotopicMass	389.137557
CLogP	3.3034
CLogS	-5.428
H Acceptors	7
H Donors	3
TotalSurfaceArea	287.65
Relative PSA	0.28702
PolarSurfaceArea	96.47
Druglikeness	-0.5136
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon

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