Common name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
IUPAC name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
SMILES
C[C@H]1N=CN(C1=O)N
Common name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
IUPAC name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
SMILES
C[C@H]1N=CN(C1=O)N
INCHI
InChI=1S/C4H7N3O/c1-3-4(8)7(5)2-6-3/h2-3H,5H2,1H3/t3-/m1/s1
FORMULA
C4H7N3O
Common name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
IUPAC name
(4R)-1-amino-4-methyl-4H-imidazol-5-one
Molecular weight
113.118
clogP
-0.419
clogS
0.511
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.69
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03127 | fenamidone |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r91_ligand_2_5.mol2 | 4r91 | 0.733333 | -6.34 | C1(=O)C([NH]=C(N1C)N)(C)C | 10 |
| 4r92_ligand_2_0.mol2 | 4r92 | 0.733333 | -6.31 | CC1(C)C(=O)N(C(=[NH]1)N)C | 10 |
| 4r93_ligand_2_0.mol2 | 4r93 | 0.733333 | -6.31 | CC1(C(=O)N(C(=[NH]1)N)C)C | 10 |
| 4r95_ligand_2_0.mol2 | 4r95 | 0.733333 | -6.31 | CC1(C(=O)N(C(=[NH]1)N)C)C | 10 |
| 4r8y_ligand_2_0.mol2 | 4r8y | 0.733333 | -6.30 | CC1(C(=O)N(C(=N1)N)C)C | 10 |
100 ,
11
