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

Formula:C28H22N3O5FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid is not a drug-like molecule.

MolName	2-[(5Z)-5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
MolecularFormula	C28H22N3O5FS3
Smiles	OS(CCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2F)=O)C1=S)(=O)=O
InChI	InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)
InChIK	YSZRDGCESQUOBE-UHFFFAOYSA-N
TotalMolweight	595.695
Molweight	595.695
MonoisotopicMass	595.07056
CLogP	1.871
CLogS	-5.83
H Acceptors	8
H Donors	1
TotalSurfaceArea	422.52
Relative PSA	0.31146
PolarSurfaceArea	167.5
Druglikeness	-6.8179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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