(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C25H17N3O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C25H17N3O2S
Smiles	O=C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)NC1=O
InChI	InChI=1S/C25H17N3O2S/c29-24-23(31-25(30)26-24)15-17-11-13-20(14-12-17)28-22(19-9-5-2-6-10-19)16-21(27-28)18-7-3-1-4-8-18/h1-16H,(H,26,29,30)
InChIK	WTYKXPUCNRHHND-UHFFFAOYSA-N
TotalMolweight	423.495
Molweight	423.495
MonoisotopicMass	423.104147
CLogP	4.1586
CLogS	-6.44
H Acceptors	5
H Donors	1
TotalSurfaceArea	316.16
Relative PSA	0.23048
PolarSurfaceArea	89.29
Druglikeness	5.2807
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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