1-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H25N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H25N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCCC1=CCCCC1
InChI	InChI=1S/C27H25N3O3/c31-27(28-13-12-17-6-2-1-3-7-17)22-15-20-19-8-4-5-9-21(19)29-26(20)25(30-22)18-10-11-23-24(14-18)33-16-32-23/h4-6,8-11,14-15,29H,1-3,7,12-13,16H2,(H,28,31)
InChIK	ZXXFFUNNRFZIPG-UHFFFAOYSA-N
TotalMolweight	439.514
Molweight	439.514
MonoisotopicMass	439.189592
CLogP	5.4697
CLogS	-6.997
H Acceptors	6
H Donors	2
TotalSurfaceArea	333.79
Relative PSA	0.20809
PolarSurfaceArea	76.24
Druglikeness	-4.0011
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 1-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

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