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

Formula:C28H20N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is not a drug-like molecule.

MolName	2-[(5Z)-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C28H20N3O4FS2
Smiles	OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(OCc(cccc3)c3F)ccc2)=O)C1=S)=O
InChI	InChI=1S/C28H20FN3O4S2/c29-23-12-5-4-7-19(23)17-36-22-11-6-8-18(13-22)26-20(15-32(30-26)21-9-2-1-3-10-21)14-24-27(35)31(16-25(33)34)28(37)38-24/h1-15H,16-17H2,(H,33,34)
InChIK	WYZNRLAKSWUXBX-UHFFFAOYSA-N
TotalMolweight	545.614
Molweight	545.614
MonoisotopicMass	545.087925
CLogP	2.895
CLogS	-6.081
H Acceptors	7
H Donors	1
TotalSurfaceArea	397.93
Relative PSA	0.29166
PolarSurfaceArea	142.05
Druglikeness	-1.3482
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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