Menu

2-[4-[(2Z)-2-[[(1Z)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid

Formula:C38H20O8Cl4F2S6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[(2Z)-2-[[(1Z)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid is not a drug-like molecule.
MolName2-[4-[(2Z)-2-[[(1Z)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid
MolecularFormulaC38H20O8Cl4F2S6
SmilesOC(COc(ccc(C(/C(/SS/C(/C(c(c(Cl)c1Cl)ccc1OCC(O)=O)=O)=C1\SSC(c(cc2)ccc2F)=C1)=C1/SSC(c(cc2)ccc2F)=C1)=O)c1Cl)c1Cl)=O
InChIInChI=1S/C38H20Cl4F2O8S6/c39-31-21(9-11-23(33(31)41)51-15-29(45)46)35(49)37(27-13-25(53-55-27)17-1-5-19(43)6-2-17)57-58-38(28-14-26(54-56-28)18-3-7-20(44)8-4-18)36(50)22-10-12-24(34(42)32(22)40)52-16-30(47)48/h1-14H,15-16H2,(H,45,46)(H,47,48)
InChIKALWDXTSKOJXXNH-UHFFFAOYSA-N
TotalMolweight976.773
Molweight976.773
MonoisotopicMass973.820454
CLogP11.369
CLogS-12.138
H Acceptors8
H Donors2
TotalSurfaceArea631.34
Relative PSA0.32201
PolarSurfaceArea279
Druglikeness-0.32096
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.37931
Fragments1
Non HAtoms58
NonCHAtoms20
Electronegative Atoms20
Rotatable Bond15
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms12
Symmetricatoms31
AcidicOxygens2
StereoCon

Request More Details | 2-[4-[(2Z)-2-[[(1Z)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments