2-amino-1-[(Z)-benzylideneamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C26H22N6O Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-benzylideneamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-benzylideneamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C26H22N6O
Smiles	Nc1c(C(NCCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1
InChI	InChI=1S/C26H22N6O/c27-24-22(26(33)28-16-15-18-9-3-1-4-10-18)23-25(31-21-14-8-7-13-20(21)30-23)32(24)29-17-19-11-5-2-6-12-19/h1-14,17H,15-16,27H2,(H,28,33)
InChIK	YVNYJYTVURENHM-UHFFFAOYSA-N
TotalMolweight	434.502
Molweight	434.502
MonoisotopicMass	434.185509
CLogP	4.3019
CLogS	-8.472
H Acceptors	7
H Donors	2
TotalSurfaceArea	338.71
Relative PSA	0.23646
PolarSurfaceArea	98.19
Druglikeness	5.9923
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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