(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

Formula:C21H12NO2Cl3S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is not a drug-like molecule.

MolName	(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
MolecularFormula	C21H12NO2Cl3S2
Smiles	O=C(N(Cc(cc1)ccc1Cl)C1=S)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C21H12Cl3NO2S2/c22-13-6-4-12(5-7-13)11-25-20(28)18(29-21(25)26)10-14-8-9-17(27-14)15-2-1-3-16(23)19(15)24/h1-10H,11H2
InChIK	RBPSELOGZGWWEE-UHFFFAOYSA-N
TotalMolweight	480.822
Molweight	480.822
MonoisotopicMass	478.9375
CLogP	6.1367
CLogS	-8.715
H Acceptors	3
TotalSurfaceArea	331.95
Relative PSA	0.22952
PolarSurfaceArea	90.84
Druglikeness	4.545
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

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