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

Formula:C27H19N3O5 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H19N3O5
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc(cc1)cc2c1OCO2
InChI	InChI=1S/C27H19N3O5/c31-27(28-12-15-5-7-21-23(9-15)34-13-32-21)20-11-18-17-3-1-2-4-19(17)29-26(18)25(30-20)16-6-8-22-24(10-16)35-14-33-22/h1-11,29H,12-14H2,(H,28,31)
InChIK	VAOQWVWSEGNWNZ-UHFFFAOYSA-N
TotalMolweight	465.464
Molweight	465.464
MonoisotopicMass	465.132472
CLogP	4.8989
CLogS	-7.399
H Acceptors	8
H Donors	2
TotalSurfaceArea	333.8
Relative PSA	0.268
PolarSurfaceArea	94.7
Druglikeness	1.1927
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon

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