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

Formula:C29H22N4O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C29H22N4O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C29H22N4O3/c34-29(30-12-11-18-15-31-22-7-3-1-5-19(18)22)24-14-21-20-6-2-4-8-23(20)32-28(21)27(33-24)17-9-10-25-26(13-17)36-16-35-25/h1-10,13-15,31-32H,11-12,16H2,(H,30,34)
InChIK	JZMDPSMFHVAFBM-UHFFFAOYSA-N
TotalMolweight	474.519
Molweight	474.519
MonoisotopicMass	474.169191
CLogP	5.257
CLogS	-7.325
H Acceptors	7
H Donors	3
TotalSurfaceArea	351.47
Relative PSA	0.23743
PolarSurfaceArea	92.03
Druglikeness	2.0177
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	28
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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