Common name
3-iodoprop-2-yn-1-ol
IUPAC name
3-iodoprop-2-yn-1-ol
SMILES
C(O)C#CI
Common name
3-iodoprop-2-yn-1-ol
IUPAC name
3-iodoprop-2-yn-1-ol
SMILES
C(O)C#CI
INCHI
InChI=1S/C3H3IO/c4-2-1-3-5/h5H,3H2
FORMULA
C3H3IO
Common name
3-iodoprop-2-yn-1-ol
IUPAC name
3-iodoprop-2-yn-1-ol
Molecular weight
181.960
clogP
0.746
clogS
-0.742
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00655 | Haloprogin |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; | Used to treat fungal (Tinea) skin infections such as athlete's foot, jock itch, ringworm, and tinea versicolor. |
| FDBD03036 | iodocarb |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxi_ligand_1_4.mol2 | 2wxi | 0.545455 | -5.33 | C#CCO | 4 |
| 2a8h_ligand_2_12.mol2 | 2a8h | 0.545455 | -5.28 | C(O)C#C | 4 |
| 3g42_ligand_2_11.mol2 | 3g42 | 0.545455 | -5.28 | OCC#C | 4 |
| 4umt_ligand_2_11.mol2 | 4umt | 0.545455 | -5.27 | OCC#C | 4 |
| 4dq2_ligand_2_35.mol2 | 4dq2 | 0.545455 | -5.24 | C(C#C)O | 4 |
| 5a7b_ligand_2_8.mol2 | 5a7b | 0.545455 | -5.23 | C(C#C)O | 4 |
| 4umu_ligand_2_15.mol2 | 4umu | 0.545455 | -5.22 | OCC#C | 4 |
2394 ,
240
