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(2Z)-2-[(5Z)-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

Formula:C31H28N4O6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (2Z)-2-[(5Z)-5-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]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-[[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
MolecularFormulaC31H28N4O6S2
SmilesN#C/C(/C(N1CCCC1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\c1ccc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1
InChIInChI=1S/C31H28N4O6S2/c32-21-26(29(36)33-14-4-5-15-33)31-35(23-6-2-1-3-7-23)30(37)28(42-31)20-24-10-13-27(41-24)22-8-11-25(12-9-22)43(38,39)34-16-18-40-19-17-34/h1-3,6-13,20H,4-5,14-19H2
InChIKJFYWSEDEOLVRJS-UHFFFAOYSA-N
TotalMolweight616.717
Molweight616.717
MonoisotopicMass616.145026
CLogP4.045
CLogS-5.796
H Acceptors10
TotalSurfaceArea443.86
Relative PSA0.27141
PolarSurfaceArea157.84
Druglikeness3.0491
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolar activated DB; twice activated DB
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms11
Symmetricatoms9
Amides3
StereoCon

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