(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Formula:C23H17N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC23H17N2O5F
SmilesO=C(/C(/C(N1Cc2ccco2)=O)=C\c(cccc2)c2OCc2cccc(F)c2)NC1=O
InChIInChI=1S/C23H17FN2O5/c24-17-7-3-5-15(11-17)14-31-20-9-2-1-6-16(20)12-19-21(27)25-23(29)26(22(19)28)13-18-8-4-10-30-18/h1-12H,13-14H2,(H,25,27,29)
InChIKGSOJFOQCVUJWLQ-UHFFFAOYSA-N
TotalMolweight420.395
Molweight420.395
MonoisotopicMass420.112151
CLogP2.7159
CLogS-4.702
H Acceptors7
H Donors1
TotalSurfaceArea312.56
Relative PSA0.25032
PolarSurfaceArea88.85
Druglikeness4.0412
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Amides2
StereoCon

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