(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione

Formula:C20H15N2O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
MolecularFormulaC20H15N2O3F
SmilesC#CCOc1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)cc1
InChIInChI=1S/C20H15FN2O3/c1-2-11-26-16-9-7-14(8-10-16)12-18-19(24)23(20(25)22-18)13-15-5-3-4-6-17(15)21/h1,3-10,12H,11,13H2,(H,22,25)
InChIKNFYQYYBJFAPREN-UHFFFAOYSA-N
TotalMolweight350.348
Molweight350.348
MonoisotopicMass350.106671
CLogP2.5973
CLogS-4.653
H Acceptors5
H Donors1
TotalSurfaceArea269.17
Relative PSA0.18981
PolarSurfaceArea58.64
Druglikeness3.3591
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides2
StereoCon

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