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(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Formula:C25H15N4O3Cl2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
MolecularFormulaC25H15N4O3Cl2FS2
SmilesO/C(/c1ccncc1)=C(\C(c(cccc1)c1F)N(C1=O)c2nnc(SCc(ccc(Cl)c3)c3Cl)s2)/C1=O
InChIInChI=1S/C25H15Cl2FN4O3S2/c26-15-6-5-14(17(27)11-15)12-36-25-31-30-24(37-25)32-20(16-3-1-2-4-18(16)28)19(22(34)23(32)35)21(33)13-7-9-29-10-8-13/h1-11,20,33H,12H2/t20-/m1/s1
InChIKIKZVFXNRHMPVHD-HXUWFJFHSA-N
TotalMolweight573.455
Molweight573.455
MonoisotopicMass571.994663
CLogP5.0453
CLogS-7.192
H Acceptors7
H Donors1
TotalSurfaceArea387.27
Relative PSA0.29305
PolarSurfaceArea149.82
Druglikeness-0.042458
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoConracemate

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