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

Formula:C24H17N3O3S Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H17N3O3S
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc1cccs1
InChI	InChI=1S/C24H17N3O3S/c28-24(25-12-15-4-3-9-31-15)19-11-17-16-5-1-2-6-18(16)26-23(17)22(27-19)14-7-8-20-21(10-14)30-13-29-20/h1-11,26H,12-13H2,(H,25,28)
InChIK	XGIQHJOINUKDGP-UHFFFAOYSA-N
TotalMolweight	427.483
Molweight	427.483
MonoisotopicMass	427.099062
CLogP	4.6541
CLogS	-6.698
H Acceptors	6
H Donors	2
TotalSurfaceArea	309.48
Relative PSA	0.29023
PolarSurfaceArea	104.48
Druglikeness	3.3637
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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