[(2S)-2-methylbutyl] 2-amino-1-(3-chloro-4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Formula:C23H23N4O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high [(2S)-2-methylbutyl] 2-amino-1-(3-chloro-4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is a drug-like molecule.

MolName	[(2S)-2-methylbutyl] 2-amino-1-(3-chloro-4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
MolecularFormula	C23H23N4O3Cl
Smiles	CC[C@H](C)COC(c(c1nc2ccccc2nc11)c(N)n1-c(cc1)cc(Cl)c1OC)=O
InChI	InChI=1S/C23H23ClN4O3/c1-4-13(2)12-31-23(29)19-20-22(27-17-8-6-5-7-16(17)26-20)28(21(19)25)14-9-10-18(30-3)15(24)11-14/h5-11,13H,4,12,25H2,1-3H3/t13-/m0/s1
InChIK	ULIIJIWQXYHWRB-ZDUSSCGKSA-N
TotalMolweight	438.914
Molweight	438.914
MonoisotopicMass	438.145868
CLogP	4.6609
CLogS	-8.472
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.43
Relative PSA	0.23553
PolarSurfaceArea	92.26
Druglikeness	1.9967
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Aromatic Nitrogens	3
StereoCon	this enantiomer

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