Common name
1,1-difluoropropane
IUPAC name
1,1-difluoropropane
SMILES
FC(F)CC
Common name
1,1-difluoropropane
IUPAC name
1,1-difluoropropane
SMILES
FC(F)CC
INCHI
InChI=1S/C3H6F2/c1-2-3(4)5/h3H,2H2,1H3
FORMULA
C3H6F2
Common name
1,1-difluoropropane
IUPAC name
1,1-difluoropropane
Molecular weight
80.077
clogP
1.256
clogS
-1.159
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00802 | Fulvestrant |
|
Antineoplastic Agents; Antineoplastic Agents, Hormonal; Estrogen Antagonists; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; CYP3A4 Inhibitors; Estrogen Receptor Antagonists; | For the treatment of hormone receptor positive metastatic breast cancer in postmenopausal women with disease progression following anti-estrogen therapy. |
| FDBD00898 | Lubiprostone |
|
Laxatives; Alimentary Tract and Metabolism; Drugs for Constipation; Chloride Channel Agonists; | For the treatment of chronic idiopathic constipation in the adult population. Also used for the treatment of irritable bowel syndrome with constipation in women who are 18 years of age or older. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_2_0.mol2 | 4m3b | 1 | -6.30 | CCC(F)(F)F | 6 |
| 4m3d_ligand_2_27.mol2 | 4m3d | 1 | -6.30 | CCC(F)(F)F | 6 |
| 4m3e_ligand_2_0.mol2 | 4m3e | 1 | -6.30 | C(C(F)(F)F)C | 6 |
| 4m3g_ligand_2_9.mol2 | 4m3g | 1 | -6.25 | CCC(F)(F)F | 6 |
| 3k3e_ligand_2_5.mol2 | 3k3e | 1 | -6.22 | C(C)(C)C(F)(F)F | 7 |
| 3k3h_ligand_2_5.mol2 | 3k3h | 1 | -6.19 | CC(C(F)(F)F)C | 7 |
| 2g71_ligand_2_9.mol2 | 2g71 | 1 | -6.11 | C(F)(F)(F)CC | 6 |
123 ,
13
