[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Formula:C23H21N4O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is not a drug-like molecule.

MolName	[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
MolecularFormula	C23H21N4O6ClS
Smiles	O=C(COC(/C=C/c1nc2ccccc2nc1)=O)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1Cl
InChI	InChI=1S/C23H21ClN4O6S/c24-18-7-6-17(35(31,32)28-9-11-33-12-10-28)13-21(18)27-22(29)15-34-23(30)8-5-16-14-25-19-3-1-2-4-20(19)26-16/h1-8,13-14H,9-12,15H2,(H,27,29)
InChIK	KBOJRQAYIBORPI-UHFFFAOYSA-N
TotalMolweight	516.961
Molweight	516.961
MonoisotopicMass	516.087033
CLogP	1.8346
CLogS	-3.173
H Acceptors	10
H Donors	1
TotalSurfaceArea	368.2
Relative PSA	0.30312
PolarSurfaceArea	136.17
Druglikeness	1.886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	2
StereoCon

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