2-amino-1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C23H17N5O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C23H17N5O3S
Smiles	Nc1c(C(NCc2cccs2)=O)c2nc3ccccc3nc2n1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C23H17N5O3S/c24-21-19(23(29)25-11-14-4-3-9-32-14)20-22(27-16-6-2-1-5-15(16)26-20)28(21)13-7-8-17-18(10-13)31-12-30-17/h1-10H,11-12,24H2,(H,25,29)
InChIK	UNDPTXYXPCWRMM-UHFFFAOYSA-N
TotalMolweight	443.486
Molweight	443.486
MonoisotopicMass	443.10521
CLogP	3.5134
CLogS	-8.626
H Acceptors	8
H Donors	2
TotalSurfaceArea	316.39
Relative PSA	0.34432
PolarSurfaceArea	132.53
Druglikeness	5.4442
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	3
StereoCon

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