2-amino-1-[(Z)-furan-2-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C21H16N6O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-furan-2-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-furan-2-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C21H16N6O2S
Smiles	Nc1c(C(NCc2cccs2)=O)c2nc3ccccc3nc2n1/N=C\c1ccco1
InChI	InChI=1S/C21H16N6O2S/c22-19-17(21(28)23-12-14-6-4-10-30-14)18-20(26-16-8-2-1-7-15(16)25-18)27(19)24-11-13-5-3-9-29-13/h1-11H,12,22H2,(H,23,28)
InChIK	RQFMNDXCYSVHAI-UHFFFAOYSA-N
TotalMolweight	416.464
Molweight	416.464
MonoisotopicMass	416.105544
CLogP	2.9271
CLogS	-8.052
H Acceptors	8
H Donors	2
TotalSurfaceArea	310.58
Relative PSA	0.36886
PolarSurfaceArea	139.57
Druglikeness	6.9585
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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