4-[[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

Formula:C35H25N2O4FS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
MolecularFormula	C35H25N2O4FS
Smiles	OC(c1ccc(CN(C(/C(/S2)=C/c(c3ccccc3cc3)c3OCc(cc3)ccc3F)=O)/C2=N\c2ccccc2)cc1)=O
InChI	InChI=1S/C35H25FN2O4S/c36-27-17-12-24(13-18-27)22-42-31-19-16-25-6-4-5-9-29(25)30(31)20-32-33(39)38(21-23-10-14-26(15-11-23)34(40)41)35(43-32)37-28-7-2-1-3-8-28/h1-20H,21-22H2,(H,40,41)
InChIK	RVBQJAFCJBGSQS-UHFFFAOYSA-N
TotalMolweight	588.658
Molweight	588.658
MonoisotopicMass	588.151906
CLogP	6.7293
CLogS	-8.602
H Acceptors	6
H Donors	1
TotalSurfaceArea	434.83
Relative PSA	0.18796
PolarSurfaceArea	104.5
Druglikeness	2.8777
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46512
Fragments	1
Non HAtoms	43
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	5
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid | 2 - 4-[[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

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