(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

Formula:C22H22N3O2F Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
MolecularFormulaC22H22N3O2F
SmilesO=C(/C(/N1)=C/c(cc2)ccc2N2CCCCC2)N(Cc(cccc2)c2F)C1=O
InChIInChI=1S/C22H22FN3O2/c23-19-7-3-2-6-17(19)15-26-21(27)20(24-22(26)28)14-16-8-10-18(11-9-16)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,24,28)
InChIKVRQOIAPWZZTMMT-UHFFFAOYSA-N
TotalMolweight379.434
Molweight379.434
MonoisotopicMass379.169605
CLogP3.4731
CLogS-5.003
H Acceptors5
H Donors1
TotalSurfaceArea287.2
Relative PSA0.15543
PolarSurfaceArea52.65
Druglikeness2.0598
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.60714
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms4
Amides2
Amines1
Aromatic Amines1
StereoCon

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