Common name
5,5-diphenylimidazolidine-2,4-dione
IUPAC name
5,5-diphenylimidazolidine-2,4-dione
SMILES
O=C1NC(=O)NC1(c2ccccc2)c3ccccc3
Common name
5,5-diphenylimidazolidine-2,4-dione
IUPAC name
5,5-diphenylimidazolidine-2,4-dione
SMILES
O=C1NC(=O)NC1(c2ccccc2)c3ccccc3
INCHI
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
FORMULA
C15H12N2O2
Common name
5,5-diphenylimidazolidine-2,4-dione
IUPAC name
5,5-diphenylimidazolidine-2,4-dione
Molecular weight
252.268
clogP
2.418
clogS
-4.105
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
3
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01128 | Fosphenytoin |
|
Anticonvulsants; Nervous System; Antiepileptics; Hydantoin Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | For the control of generalized convulsive status epilepticus and prevention and treatment of seizures occurring during neurosurgery. It can also be substituted, short-term, for oral phenytoin. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eq9_ligand_2_18.mol2 | 3eq9 | 1 | -7.08 | c1(ccccc1)C1(NC(=O)NC1=O)c1ccccc1 | 19 |
| 3eq9_ligand_3_31.mol2 | 3eq9 | 0.96 | -7.19 | CN1C(=O)NC(c2ccccc2)(C1=O)c1ccccc1 | 20 |
| 3eq9_ligand_1_5.mol2 | 3eq9 | 0.944444 | -6.41 | c1(ccccc1)[C@@H]1NC(=O)NC1=O | 13 |
| 3eq9_ligand_1_4.mol2 | 3eq9 | 0.944444 | -6.02 | N1C(=O)N[C@@H](C1=O)c1ccccc1 | 13 |
| 3eq9_ligand_2_16.mol2 | 3eq9 | 0.906667 | -6.52 | CN1C(=O)N[C@@H](c2ccccc2)C1=O | 14 |
| 3eq9_ligand_2_15.mol2 | 3eq9 | 0.906667 | -6.13 | CN1C(=O)N[C@@H](C1=O)c1ccccc1 | 14 |
100 ,
11
