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

Formula:C26H19N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-benzyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H19N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc1ccccc1
InChI	InChI=1S/C26H19N3O3/c30-26(27-14-16-6-2-1-3-7-16)21-13-19-18-8-4-5-9-20(18)28-25(19)24(29-21)17-10-11-22-23(12-17)32-15-31-22/h1-13,28H,14-15H2,(H,27,30)
InChIK	VKHHQHQHOLESIO-UHFFFAOYSA-N
TotalMolweight	421.455
Molweight	421.455
MonoisotopicMass	421.142642
CLogP	4.7875
CLogS	-6.688
H Acceptors	6
H Donors	2
TotalSurfaceArea	313.54
Relative PSA	0.22153
PolarSurfaceArea	76.24
Druglikeness	1.1927
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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