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

Formula:C27H27N3O3 Mutagenic:low Tumorigenic:low Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-cyclooctyl-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-cyclooctyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H27N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NC1CCCCCCC1
InChI	InChI=1S/C27H27N3O3/c31-27(28-18-8-4-2-1-3-5-9-18)22-15-20-19-10-6-7-11-21(19)29-26(20)25(30-22)17-12-13-23-24(14-17)33-16-32-23/h6-7,10-15,18,29H,1-5,8-9,16H2,(H,28,31)
InChIK	ARKOISPBGUATRC-UHFFFAOYSA-N
TotalMolweight	441.529
Molweight	441.529
MonoisotopicMass	441.205242
CLogP	6.3386
CLogS	-7.479
H Acceptors	6
H Donors	2
TotalSurfaceArea	335.34
Relative PSA	0.20713
PolarSurfaceArea	76.24
Druglikeness	-3.2198
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	11
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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