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

Formula:C25H23N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H23N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NC1CCCCC1
InChI	InChI=1S/C25H23N3O3/c29-25(26-16-6-2-1-3-7-16)20-13-18-17-8-4-5-9-19(17)27-24(18)23(28-20)15-10-11-21-22(12-15)31-14-30-21/h4-5,8-13,16,27H,1-3,6-7,14H2,(H,26,29)
InChIK	RBROHEAVDNPHIK-UHFFFAOYSA-N
TotalMolweight	413.476
Molweight	413.476
MonoisotopicMass	413.173942
CLogP	4.9251
CLogS	-6.939
H Acceptors	6
H Donors	2
TotalSurfaceArea	307.82
Relative PSA	0.22565
PolarSurfaceArea	76.24
Druglikeness	-2.976
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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