Common name
methyl(propyl)phosphinic acid
IUPAC name
methyl(propyl)phosphinic acid
SMILES
P(=O)(O)(C)CCC
Common name
methyl(propyl)phosphinic acid
IUPAC name
methyl(propyl)phosphinic acid
SMILES
P(=O)(O)(C)CCC
INCHI
InChI=1S/C4H11O2P/c1-3-4-7(2,5)6/h3-4H2,1-2H3,(H,5,6)
FORMULA
C4H11O2P
Common name
methyl(propyl)phosphinic acid
IUPAC name
methyl(propyl)phosphinic acid
Molecular weight
122.103
clogP
-0.077
clogS
-0.860
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00365 | Fosinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For treating mild to moderate hypertension, use as an adjunct in treating congestive heart failure, and may be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD02596 | EBEP |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pj6_ligand_3_100.mol2 | 2pj6 | 1 | -6.38 | [P@](=O)(O)(C)CC(C)C | 8 |
| 2pj2_ligand_3_64.mol2 | 2pj2 | 1 | -6.37 | C(C)(C)C[P@](=O)(O)C | 8 |
| 2piy_ligand_3_145.mol2 | 2piy | 1 | -6.33 | C[P@](=O)(CC(C)C)O | 8 |
| 2pj8_ligand_3_64.mol2 | 2pj8 | 1 | -6.31 | C(C(C)C)[P@](=O)(O)C | 8 |
| 2pja_ligand_3_266.mol2 | 2pja | 1 | -6.31 | [P@@](=O)(O)(C)CC(C)C | 8 |
| 2pj7_ligand_3_36.mol2 | 2pj7 | 1 | -6.30 | C(C)(C)C[P@@](=O)(C)O | 8 |
| 2pj9_ligand_3_36.mol2 | 2pj9 | 1 | -6.29 | C(C)(C)C[P@](=O)(C)O | 8 |
| 2pjb_ligand_3_344.mol2 | 2pjb | 1 | -6.25 | [P@@](=O)(O)(C)CC(C)C | 8 |
| 2xy9_ligand_4_1090.mol2 | 2xy9 | 1 | -5.93 | C[P@@](=O)(O)CCC | 7 |
112 ,
12
