4-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

Formula:C20H20N2O4S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
MolecularFormula	C20H20N2O4S3
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C(/C(N2C3CCCCC3)=O)\SC2=S)o1)(=O)=O
InChI	InChI=1S/C20H20N2O4S3/c21-29(24,25)16-9-6-13(7-10-16)17-11-8-15(26-17)12-18-19(23)22(20(27)28-18)14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H2,21,24,25)
InChIK	MATVVGLEIFLMTC-UHFFFAOYSA-N
TotalMolweight	448.587
Molweight	448.587
MonoisotopicMass	448.058518
CLogP	2.6557
CLogS	-6.071
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.07
Relative PSA	0.37859
PolarSurfaceArea	159.38
Druglikeness	0.53467
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	5
Amides	2
StereoCon

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1 - 4-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

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