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

Formula:C20H21N2O6IS Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate
MolecularFormula	C20H21N2O6IS
Smiles	O=C(COC(/C=C/c(o1)ccc1I)=O)Nc1cc(S(N2CCCCC2)(=O)=O)ccc1
InChI	InChI=1S/C20H21IN2O6S/c21-18-9-7-16(29-18)8-10-20(25)28-14-19(24)22-15-5-4-6-17(13-15)30(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24)
InChIK	JEFGPPXHXALRGK-UHFFFAOYSA-N
TotalMolweight	544.361
Molweight	544.361
MonoisotopicMass	544.016506
CLogP	2.6242
CLogS	-3.957
H Acceptors	8
H Donors	1
TotalSurfaceArea	340.39
Relative PSA	0.27551
PolarSurfaceArea	114.3
Druglikeness	-3.2692
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
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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