(5E)-3-cyclohexyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C20H18N2O4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-3-cyclohexyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-cyclohexyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C20H18N2O4S2
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C(\C(N2C3CCCCC3)=O)/SC2=S)o1)=O
InChI	InChI=1S/C20H18N2O4S2/c23-19-18(28-20(27)21(19)13-6-2-1-3-7-13)12-14-10-11-17(26-14)15-8-4-5-9-16(15)22(24)25/h4-5,8-13H,1-3,6-7H2
InChIK	OPHUQGMVTYSEOP-UHFFFAOYSA-N
TotalMolweight	414.505
Molweight	414.505
MonoisotopicMass	414.070798
CLogP	2.9701
CLogS	-6.632
H Acceptors	6
TotalSurfaceArea	303.64
Relative PSA	0.35111
PolarSurfaceArea	136.66
Druglikeness	-6.1139
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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