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

Formula:C20H21N2O6ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C20H21N2O6ClS
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc(cc(cc1)S(N2CCCCC2)(=O)=O)c1Cl
InChI	InChI=1S/C20H21ClN2O6S/c21-17-8-7-16(30(26,27)23-10-2-1-3-11-23)13-18(17)22-19(24)14-29-20(25)9-6-15-5-4-12-28-15/h4-9,12-13H,1-3,10-11,14H2,(H,22,24)
InChIK	RNIWWUOKUBEJMT-UHFFFAOYSA-N
TotalMolweight	452.914
Molweight	452.914
MonoisotopicMass	452.080885
CLogP	2.6957
CLogS	-3.914
H Acceptors	8
H Donors	1
TotalSurfaceArea	329.53
Relative PSA	0.28459
PolarSurfaceArea	114.3
Druglikeness	0.68024
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
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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