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

Formula:C28H21N3O3S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.

MolName	3-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C28H21N3O3S2
Smiles	OC(CCN(C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C28H21N3O3S2/c32-26(33)15-16-30-27(34)25(36-28(30)35)17-19-11-13-22(14-12-19)31-24(21-9-5-2-6-10-21)18-23(29-31)20-7-3-1-4-8-20/h1-14,17-18H,15-16H2,(H,32,33)
InChIK	BWTLUKGUZCDCBT-UHFFFAOYSA-N
TotalMolweight	511.625
Molweight	511.625
MonoisotopicMass	511.102432
CLogP	3.6507
CLogS	-6.474
H Acceptors	6
H Donors	1
TotalSurfaceArea	381.58
Relative PSA	0.27795
PolarSurfaceArea	132.82
Druglikeness	5.9196
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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