[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate

Formula:C20H20N2O6ClIS Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate
MolecularFormula	C20H20N2O6ClIS
Smiles	O=C(COC(/C=C/c(o1)ccc1I)=O)Nc(cc(cc1)S(N2CCCCC2)(=O)=O)c1Cl
InChI	InChI=1S/C20H20ClIN2O6S/c21-16-7-6-15(31(27,28)24-10-2-1-3-11-24)12-17(16)23-19(25)13-29-20(26)9-5-14-4-8-18(22)30-14/h4-9,12H,1-3,10-11,13H2,(H,23,25)
InChIK	IZZGUGUOPNMPKF-UHFFFAOYSA-N
TotalMolweight	578.806
Molweight	578.806
MonoisotopicMass	577.977533
CLogP	3.2302
CLogS	-4.693
H Acceptors	8
H Donors	1
TotalSurfaceArea	355.81
Relative PSA	0.26357
PolarSurfaceArea	114.3
Druglikeness	1.9462
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon

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