Common name
1-iodoprop-1-yne
IUPAC name
1-iodoprop-1-yne
SMILES
CC#CI
Common name
1-iodoprop-1-yne
IUPAC name
1-iodoprop-1-yne
SMILES
CC#CI
INCHI
InChI=1S/C3H3I/c1-2-3-4/h1H3
FORMULA
C3H3I
Common name
1-iodoprop-1-yne
IUPAC name
1-iodoprop-1-yne
Molecular weight
165.960
clogP
1.158
clogS
-1.292
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| 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 |
|---|---|---|---|---|---|
| 2a8h_ligand_1_4.mol2 | 2a8h | 0.428571 | -5.51 | CC#C | 3 |
| 2i47_ligand_frag_8.mol2 | 2i47 | 0.428571 | -5.51 | C#CC | 3 |
| 3g42_ligand_1_3.mol2 | 3g42 | 0.428571 | -5.51 | CC#C | 3 |
| 1zxc_ligand_frag_0.mol2 | 1zxc | 0.428571 | -5.50 | CC#C | 3 |
| 5ael_ligand_1_2.mol2 | 5ael | 0.428571 | -5.50 | C(#C)C | 3 |
| 2pjt_ligand_frag_0.mol2 | 2pjt | 0.428571 | -5.49 | CC#C | 3 |
| 3b92_ligand_frag_3.mol2 | 3b92 | 0.428571 | -5.49 | C(#C)C | 3 |
| 3gz9_ligand_1_6.mol2 | 3gz9 | 0.428571 | -5.47 | C(#C)C | 3 |
| 4b1c_ligand_frag_4.mol2 | 4b1c | 0.428571 | -5.47 | C#CC | 3 |
| 4djy_ligand_frag_4.mol2 | 4djy | 0.428571 | -5.47 | C#CC | 3 |
124 ,
13
