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

Formula:C30H24N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is not a drug-like molecule.

MolName	4-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormula	C30H24N3O4FS2
Smiles	OC(CCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C30H24FN3O4S2/c31-23-12-8-20(9-13-23)19-38-25-14-10-21(11-15-25)28-22(18-34(32-28)24-5-2-1-3-6-24)17-26-29(37)33(30(39)40-26)16-4-7-27(35)36/h1-3,5-6,8-15,17-18H,4,7,16,19H2,(H,35,36)
InChIK	QLORNXJPBRBQDF-UHFFFAOYSA-N
TotalMolweight	573.668
Molweight	573.668
MonoisotopicMass	573.119225
CLogP	3.8038
CLogS	-6.621
H Acceptors	7
H Donors	1
TotalSurfaceArea	425.45
Relative PSA	0.27279
PolarSurfaceArea	142.05
Druglikeness	3.5627
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
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 - 4-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid | 2 - 4-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

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