Common name
propylurea
IUPAC name
propylurea
SMILES
C(C)CNC(=O)N
Common name
propylurea
IUPAC name
propylurea
SMILES
C(C)CNC(=O)N
INCHI
InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
FORMULA
C4H10N2O
Common name
propylurea
IUPAC name
propylurea
Molecular weight
102.135
clogP
-0.733
clogS
-0.643
Frequency
0.0007
HBond Acceptor
1
HBond Donor
3
Total Polar
Surface Area
55.12
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00046 | L-Citrulline |
|
Dietary Supplements; Micronutrients; Supplements; Non-Essential Amino Acids; | Used for nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00401 | Chlormerodrin |
|
Diagnostic Agents; Diuretics, Mercurial; | Previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd4_ligand_3_10.mol2 | 1zd4 | 1 | -6.22 | NC(=O)NCCC | 7 |
| 1zd5_ligand_3_15.mol2 | 1zd5 | 1 | -6.19 | NC(=O)NCCC | 7 |
| 3ipu_ligand_3_81.mol2 | 3ipu | 1 | -6.11 | CCCN(C(=O)N)C | 8 |
| 2fw3_ligand_3_394.mol2 | 2fw3 | 1 | -5.89 | C(C)CNC(=O)N | 7 |
| 4ekg_ligand_3_49.mol2 | 4ekg | 1 | -5.88 | NC(=O)NCCC | 7 |
| 4eki_ligand_3_64.mol2 | 4eki | 1 | -5.83 | NC(=O)NCCC | 7 |
| 4mw0_ligand_3_16.mol2 | 4mw0 | 1 | -5.76 | C(NC(=O)N)CC | 7 |
754 ,
76
