Common name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
IUPAC name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
SMILES
N1C(=O)N(C[C@H]1O)C
Common name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
IUPAC name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
SMILES
N1C(=O)N(C[C@H]1O)C
INCHI
InChI=1S/C4H8N2O2/c1-6-2-3(7)5-4(6)8/h3,7H,2H2,1H3,(H,5,8)/t3-/m1/s1
FORMULA
C4H8N2O2
Common name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
IUPAC name
(4R)-4-hydroxy-1-methylimidazolidin-2-one
Molecular weight
116.119
clogP
-0.853
clogS
0.486
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.57
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02850 | buthidazole |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djq_ligand_1_13.mol2 | 4djq | 0.689655 | -5.41 | CN1CCNC1=O | 7 |
| 3ckr_ligand_1_10.mol2 | 3ckr | 0.689655 | -5.40 | CN1C(=O)NCC1 | 7 |
| 3ckp_ligand_1_9.mol2 | 3ckp | 0.689655 | -5.33 | C1NC(=O)N(C1)C | 7 |
| 4djq_ligand_2_90.mol2 | 4djq | 0.606061 | -5.69 | C(C)N1CCNC1=O | 8 |
| 2fw3_ligand_4_560.mol2 | 2fw3 | 0.59375 | -5.86 | C([N+](C)(C)C)CNC(=O)NC | 11 |
| 3ckr_ligand_2_72.mol2 | 3ckr | 0.588235 | -5.69 | CN1C(=O)N[C@@H](C)C1 | 8 |
| 3ckr_ligand_frag_9.mol2 | 3ckr | 0.586207 | -5.32 | C1NC(=O)NC1 | 6 |
| 3ckp_ligand_frag_9.mol2 | 3ckp | 0.586207 | -5.26 | C1NC(=O)NC1 | 6 |
433 ,
44
