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

Formula:C24H23N3O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H23N3O4
Smiles	OCCCCCNC(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)=O
InChI	InChI=1S/C24H23N3O4/c28-11-5-1-4-10-25-24(29)19-13-17-16-6-2-3-7-18(16)26-23(17)22(27-19)15-8-9-20-21(12-15)31-14-30-20/h2-3,6-9,12-13,26,28H,1,4-5,10-11,14H2,(H,25,29)
InChIK	KRYZVJADROBYPD-UHFFFAOYSA-N
TotalMolweight	417.464
Molweight	417.464
MonoisotopicMass	417.168857
CLogP	4.2122
CLogS	-5.968
H Acceptors	7
H Donors	3
TotalSurfaceArea	315.17
Relative PSA	0.26195
PolarSurfaceArea	96.47
Druglikeness	-9.9915
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	2
StereoCon

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