11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C30H32N3O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.

MolName	11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C30H32N3O3FS2
Smiles	OC(CCCCCCCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C30H32FN3O3S2/c31-24-17-15-22(16-18-24)28-23(21-34(32-28)25-12-8-7-9-13-25)20-26-29(37)33(30(38)39-26)19-11-6-4-2-1-3-5-10-14-27(35)36/h7-9,12-13,15-18,20-21H,1-6,10-11,14,19H2,(H,35,36)
InChIK	QKUVUDFQMAHUES-UHFFFAOYSA-N
TotalMolweight	565.732
Molweight	565.732
MonoisotopicMass	565.18691
CLogP	5.6365
CLogS	-7.17
H Acceptors	6
H Donors	1
TotalSurfaceArea	438.25
Relative PSA	0.24201
PolarSurfaceArea	132.82
Druglikeness	-6.2747
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	14
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	13
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid | 2 - 11-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

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