[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate

Formula:C21H20N2O6Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
MolecularFormula	C21H20N2O6Cl2S
Smiles	O=C(COC(/C=C/c1cc(Cl)ccc1)=O)Nc(cc1)cc(S(N2CCOCC2)(=O)=O)c1Cl
InChI	InChI=1S/C21H20Cl2N2O6S/c22-16-3-1-2-15(12-16)4-7-21(27)31-14-20(26)24-17-5-6-18(23)19(13-17)32(28,29)25-8-10-30-11-9-25/h1-7,12-13H,8-11,14H2,(H,24,26)
InChIK	HYRDUTIVBFERKO-UHFFFAOYSA-N
TotalMolweight	499.37
Molweight	499.37
MonoisotopicMass	498.041912
CLogP	2.949
CLogS	-4.079
H Acceptors	8
H Donors	1
TotalSurfaceArea	351.5
Relative PSA	0.25511
PolarSurfaceArea	110.39
Druglikeness	0.41755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon

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