2-[(5Z)-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C20H13NO4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C20H13NO4S2
Smiles	OC(CN(C(/C(/S1)=C/c2ccc(-c3cccc4ccccc34)o2)=O)C1=S)=O
InChI	InChI=1S/C20H13NO4S2/c22-18(23)11-21-19(24)17(27-20(21)26)10-13-8-9-16(25-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,23)
InChIK	GTYMCKKFGDWJHK-UHFFFAOYSA-N
TotalMolweight	395.458
Molweight	395.458
MonoisotopicMass	395.028599
CLogP	2.6604
CLogS	-5.979
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.63
Relative PSA	0.35952
PolarSurfaceArea	128.14
Druglikeness	-0.80347
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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