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

Formula:C24H21N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-cyclopentyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-cyclopentyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H21N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NC1CCCC1
InChI	InChI=1S/C24H21N3O3/c28-24(25-15-5-1-2-6-15)19-12-17-16-7-3-4-8-18(16)26-23(17)22(27-19)14-9-10-20-21(11-14)30-13-29-20/h3-4,7-12,15,26H,1-2,5-6,13H2,(H,25,28)
InChIK	QIGXKMYHBJSPOH-UHFFFAOYSA-N
TotalMolweight	399.449
Molweight	399.449
MonoisotopicMass	399.158292
CLogP	4.5831
CLogS	-6.669
H Acceptors	6
H Donors	2
TotalSurfaceArea	294.06
Relative PSA	0.23621
PolarSurfaceArea	76.24
Druglikeness	-0.66401
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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