2-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

Formula:C21H22N3O4ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is not a drug-like molecule.

MolName	2-[(2E)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
MolecularFormula	C21H22N3O4ClS3
Smiles	O=C(CC(C(N1C2CCCCC2)=O)S/C1=N/S(c(s1)ccc1Cl)(=O)=O)Nc1ccccc1
InChI	InChI=1S/C21H22ClN3O4S3/c22-17-11-12-19(31-17)32(28,29)24-21-25(15-9-5-2-6-10-15)20(27)16(30-21)13-18(26)23-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13H2,(H,23,26)/t16-/m1/s1
InChIK	WROLBUYWDYGOSB-MRXNPFEDSA-N
TotalMolweight	512.074
Molweight	512.074
MonoisotopicMass	511.046094
CLogP	4.6996
CLogS	-5.733
H Acceptors	7
H Donors	1
TotalSurfaceArea	351.24
Relative PSA	0.33889
PolarSurfaceArea	157.83
Druglikeness	-0.80587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	5
Amides	2
StereoCon	racemate

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