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

Formula:C22H17N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-cyclopropyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C22H17N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NC1CC1
InChI	InChI=1S/C22H17N3O3/c26-22(23-13-6-7-13)17-10-15-14-3-1-2-4-16(14)24-21(15)20(25-17)12-5-8-18-19(9-12)28-11-27-18/h1-5,8-10,13,24H,6-7,11H2,(H,23,26)
InChIK	HLCMIJBIXVOKRG-UHFFFAOYSA-N
TotalMolweight	371.395
Molweight	371.395
MonoisotopicMass	371.126992
CLogP	3.8991
CLogS	-6.129
H Acceptors	6
H Donors	2
TotalSurfaceArea	266.54
Relative PSA	0.2606
PolarSurfaceArea	76.24
Druglikeness	2.0381
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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