4-[(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Formula:C18H14NO4ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is a drug-like molecule.

MolName	4-[(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormula	C18H14NO4ClS2
Smiles	OC(CCCN(C(/C(/S1)=C\c2ccc(-c(cccc3)c3Cl)o2)=O)C1=S)=O
InChI	InChI=1S/C18H14ClNO4S2/c19-13-5-2-1-4-12(13)14-8-7-11(24-14)10-15-17(23)20(18(25)26-15)9-3-6-16(21)22/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22)
InChIK	BMSIUYNXHXLUPO-UHFFFAOYSA-N
TotalMolweight	407.897
Molweight	407.897
MonoisotopicMass	407.005276
CLogP	2.9808
CLogS	-5.649
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.97
Relative PSA	0.34928
PolarSurfaceArea	128.14
Druglikeness	4.1905
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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