2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Formula:C17H10N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C17H10N2O5S
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2CC(O)=O)=O)\SC2=O)o1
InChI	InChI=1S/C17H10N2O5S/c18-8-10-1-3-11(4-2-10)13-6-5-12(24-13)7-14-16(22)19(9-15(20)21)17(23)25-14/h1-7H,9H2,(H,20,21)
InChIK	IXJYPLUDRQNCEF-UHFFFAOYSA-N
TotalMolweight	354.341
Molweight	354.341
MonoisotopicMass	354.031043
CLogP	1.6468
CLogS	-4.795
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.78
Relative PSA	0.39306
PolarSurfaceArea	136.91
Druglikeness	-4.7717
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

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