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(2Z)-2-[(5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

Formula:C37H31N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-[(5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile is not a drug-like molecule.
MolName(2Z)-2-[(5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
MolecularFormulaC37H31N3O4S
SmilesN#C/C(/C(N1CCCC1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C37H31N3O4S/c38-24-31(35(41)39-20-10-11-21-39)37-40(30-16-8-3-9-17-30)36(42)34(45-37)23-29-18-19-32(43-25-27-12-4-1-5-13-27)33(22-29)44-26-28-14-6-2-7-15-28/h1-9,12-19,22-23H,10-11,20-21,25-26H2
InChIKMXMVBASYYLECSU-UHFFFAOYSA-N
TotalMolweight613.736
Molweight613.736
MonoisotopicMass613.203527
CLogP6.7595
CLogS-7.812
H Acceptors7
TotalSurfaceArea471.03
Relative PSA0.17882
PolarSurfaceArea108.17
Druglikeness1.1712
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolar activated DB; twice activated DB
Shape Index0.42222
Fragments1
Non HAtoms45
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms9
Symmetricatoms8
Amides2
StereoCon

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