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

Formula:C27H19N3O3S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C27H19N3O3S2
Smiles	OC(CN(C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C27H19N3O3S2/c31-25(32)17-29-26(33)24(35-27(29)34)15-18-11-13-21(14-12-18)30-23(20-9-5-2-6-10-20)16-22(28-30)19-7-3-1-4-8-19/h1-16H,17H2,(H,31,32)
InChIK	UZESBERJEIIESH-UHFFFAOYSA-N
TotalMolweight	497.598
Molweight	497.598
MonoisotopicMass	497.086782
CLogP	3.1963
CLogS	-6.204
H Acceptors	6
H Donors	1
TotalSurfaceArea	367.82
Relative PSA	0.28835
PolarSurfaceArea	132.82
Druglikeness	0.09298
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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