(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Formula:C17H13N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H13N2O3F |
| Smiles | Oc1ccc(/C=C(\C(N2Cc(cc3)ccc3F)=O)/NC2=O)cc1 |
| InChI | InChI=1S/C17H13FN2O3/c18-13-5-1-12(2-6-13)10-20-16(22)15(19-17(20)23)9-11-3-7-14(21)8-4-11/h1-9,21H,10H2,(H,19,23) |
| InChIK | VGYFJOPPFSDWAF-UHFFFAOYSA-N |
| TotalMolweight | 312.299 |
| Molweight | 312.299 |
| MonoisotopicMass | 312.091021 |
| CLogP | 2.2944 |
| CLogS | -3.715 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.95 |
| Relative PSA | 0.23773 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 3.5217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
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