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

Formula:C29H22N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.

MolName	3-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C29H22N3O4FS2
Smiles	OC(CCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C29H22FN3O4S2/c30-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)27-21(17-33(31-27)23-4-2-1-3-5-23)16-25-28(36)32(29(38)39-25)15-14-26(34)35/h1-13,16-17H,14-15,18H2,(H,34,35)
InChIK	SQXBBCPFTDFKRY-UHFFFAOYSA-N
TotalMolweight	559.641
Molweight	559.641
MonoisotopicMass	559.103575
CLogP	3.3494
CLogS	-6.351
H Acceptors	7
H Donors	1
TotalSurfaceArea	411.69
Relative PSA	0.28191
PolarSurfaceArea	142.05
Druglikeness	4.4985
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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