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

Formula:C32H23N4O4FS2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName(4E)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormulaC32H23N4O4FS2
SmilesO/C(/c1ccncc1)=C(\C(c1cc(OCc2ccccc2)ccc1)N(C1=O)c2nnc(SCc(cccc3)c3F)s2)/C1=O
InChIInChI=1S/C32H23FN4O4S2/c33-25-12-5-4-9-23(25)19-42-32-36-35-31(43-32)37-27(26(29(39)30(37)40)28(38)21-13-15-34-16-14-21)22-10-6-11-24(17-22)41-18-20-7-2-1-3-8-20/h1-17,27,38H,18-19H2/t27-/m1/s1
InChIKRNIIXRLKKFOHAG-HHHXNRCGSA-N
TotalMolweight610.689
Molweight610.689
MonoisotopicMass610.114474
CLogP5.1814
CLogS-7.061
H Acceptors8
H Donors1
TotalSurfaceArea439.95
Relative PSA0.28069
PolarSurfaceArea159.05
Druglikeness-0.29818
Mutagenicnone
Tumorigeniclow
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.46512
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms6
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoConracemate

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