[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Formula:C23H26N3O7ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is not a drug-like molecule.

MolName	[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
MolecularFormula	C23H26N3O7ClS2
Smiles	O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)Nc(cc(cc1)S(N2CCCCC2)(=O)=O)c1Cl
InChI	InChI=1S/C23H26ClN3O7S2/c24-20-10-9-19(36(32,33)27-12-5-2-6-13-27)15-21(20)26-22(28)17-34-23(29)16-25-35(30,31)14-11-18-7-3-1-4-8-18/h1,3-4,7-11,14-15,25H,2,5-6,12-13,16-17H2,(H,26,28)
InChIK	FIECWVXKVDDZFS-UHFFFAOYSA-N
TotalMolweight	556.058
Molweight	556.058
MonoisotopicMass	555.090069
CLogP	2.474
CLogS	-4.607
H Acceptors	10
H Donors	2
TotalSurfaceArea	393.64
Relative PSA	0.30411
PolarSurfaceArea	155.71
Druglikeness	0.81672
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	3
StereoCon

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1 - [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

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