2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C23H22N6O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C23H22N6O4
Smiles	Nc1c(C(NC[C@H]2OCCC2)=O)c2nc3ccccc3nc2n1N=Cc(cc1)cc(O)c1O
InChI	InChI=1S/C23H22N6O4/c24-21-19(23(32)25-12-14-4-3-9-33-14)20-22(28-16-6-2-1-5-15(16)27-20)29(21)26-11-13-7-8-17(30)18(31)10-13/h1-2,5-8,10-11,14,30-31H,3-4,9,12,24H2,(H,25,32)/t14-/m0/s1
InChIK	OTQSDBCOMHJBFH-AWEZNQCLSA-N
TotalMolweight	446.466
Molweight	446.466
MonoisotopicMass	446.170254
CLogP	2.0621
CLogS	-7.13
H Acceptors	10
H Donors	4
TotalSurfaceArea	328.17
Relative PSA	0.35436
PolarSurfaceArea	147.88
Druglikeness	4.351
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-1-[(3,4-dihydroxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

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