6-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C31H27N3O3S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 6-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C31H27N3O3S2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C31H27N3O3S2/c35-29(36)14-8-3-9-19-33-30(37)28(39-31(33)38)20-22-15-17-25(18-16-22)34-27(24-12-6-2-7-13-24)21-26(32-34)23-10-4-1-5-11-23/h1-2,4-7,10-13,15-18,20-21H,3,8-9,14,19H2,(H,35,36)
InChIK	SIXYWDHXGFEYSJ-UHFFFAOYSA-N
TotalMolweight	553.705
Molweight	553.705
MonoisotopicMass	553.149382
CLogP	5.0139
CLogS	-7.284
H Acceptors	6
H Donors	1
TotalSurfaceArea	422.86
Relative PSA	0.25082
PolarSurfaceArea	132.82
Druglikeness	-3.7243
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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