1-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C21H17N3O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H17N3O4
Smiles	OCCNC(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)=O
InChI	InChI=1S/C21H17N3O4/c25-8-7-22-21(26)16-10-14-13-3-1-2-4-15(13)23-20(14)19(24-16)12-5-6-17-18(9-12)28-11-27-17/h1-6,9-10,23,25H,7-8,11H2,(H,22,26)
InChIK	KEGLFNMIZVPSBU-UHFFFAOYSA-N
TotalMolweight	375.383
Molweight	375.383
MonoisotopicMass	375.121907
CLogP	2.849
CLogS	-5.158
H Acceptors	7
H Donors	3
TotalSurfaceArea	273.89
Relative PSA	0.30143
PolarSurfaceArea	96.47
Druglikeness	1.2927
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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