6-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C32H28N3O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C32H28N3O4FS2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C32H28FN3O4S2/c33-25-14-10-22(11-15-25)21-40-27-16-12-23(13-17-27)30-24(20-36(34-30)26-7-3-1-4-8-26)19-28-31(39)35(32(41)42-28)18-6-2-5-9-29(37)38/h1,3-4,7-8,10-17,19-20H,2,5-6,9,18,21H2,(H,37,38)
InChIK	LAVAZLJZWCTFBF-UHFFFAOYSA-N
TotalMolweight	601.721
Molweight	601.721
MonoisotopicMass	601.150525
CLogP	4.7126
CLogS	-7.161
H Acceptors	7
H Donors	1
TotalSurfaceArea	452.97
Relative PSA	0.25622
PolarSurfaceArea	142.05
Druglikeness	-5.1021
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	42
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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