(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-(3-hydroxyanilino)-1,3-thiazol-2-one

Formula:C31H22N4O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-(3-hydroxyanilino)-1,3-thiazol-2-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-(3-hydroxyanilino)-1,3-thiazol-2-one
MolecularFormula	C31H22N4O2S
Smiles	Oc1cccc(NC(/C(/S2)=C/c(cc3)ccc3-n(c(-c3ccccc3)c3)nc3-c3ccccc3)=NC2=O)c1
InChI	InChI=1S/C31H22N4O2S/c36-26-13-7-12-24(19-26)32-30-29(38-31(37)33-30)18-21-14-16-25(17-15-21)35-28(23-10-5-2-6-11-23)20-27(34-35)22-8-3-1-4-9-22/h1-20,36H,(H,32,33,37)
InChIK	IQTQTOKWRFXNRU-UHFFFAOYSA-N
TotalMolweight	514.608
Molweight	514.608
MonoisotopicMass	514.146346
CLogP	5.3817
CLogS	-7.707
H Acceptors	6
H Donors	2
TotalSurfaceArea	387.49
Relative PSA	0.21792
PolarSurfaceArea	104.81
Druglikeness	4.278
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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