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

Formula:C24H16N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-1-(4-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC24H16N2O4ClF
SmilesO=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c(cc2)ccc2OCc(cc2)ccc2F)NC1=O
InChIInChI=1S/C24H16ClFN2O4/c25-17-5-9-19(10-6-17)28-23(30)21(22(29)27-24(28)31)13-15-3-11-20(12-4-15)32-14-16-1-7-18(26)8-2-16/h1-13H,14H2,(H,27,29,31)
InChIKUCFPQNDHRJWAGT-UHFFFAOYSA-N
TotalMolweight450.852
Molweight450.852
MonoisotopicMass450.078263
CLogP4.2103
CLogS-6.278
H Acceptors6
H Donors1
TotalSurfaceArea324.53
Relative PSA0.19761
PolarSurfaceArea75.71
Druglikeness3.2359
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
Amides2
StereoCon

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