Common name
1,1-difluorocyclohexane
IUPAC name
1,1-difluorocyclohexane
SMILES
FC1(CCCCC1)F
Common name
1,1-difluorocyclohexane
IUPAC name
1,1-difluorocyclohexane
SMILES
FC1(CCCCC1)F
INCHI
InChI=1S/C6H10F2/c7-6(8)4-2-1-3-5-6/h1-5H2
FORMULA
C6H10F2
Common name
1,1-difluorocyclohexane
IUPAC name
1,1-difluorocyclohexane
Molecular weight
120.140
clogP
2.822
clogS
-2.045
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01321 | Maraviroc |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; CCR5 Receptor Antagonists; | For treatment-experienced adult patients infected with only CCR5-tropic HIV-1 detectable, who have evidence of viral replication and HIV-1 strains resistant to multiple antiretroviral agents. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zzy_ligand_frag_0.mol2 | 4zzy | 1 | -6.24 | C1CC(F)(F)CCC1 | 8 |
| 5a00_ligand_frag_0.mol2 | 5a00 | 1 | -6.24 | C1CC(F)(F)CCC1 | 8 |
| 4hy5_ligand_frag_5.mol2 | 4hy5 | 1 | -5.54 | C1CCC(F)(F)CC1 | 8 |
| 4hy0_ligand_frag_5.mol2 | 4hy0 | 1 | -5.31 | C1CCC(F)(F)CC1 | 8 |
| 4hy5_ligand_1_4.mol2 | 4hy5 | 0.933333 | -5.75 | CC1CCC(F)(F)CC1 | 9 |
| 4hy0_ligand_1_4.mol2 | 4hy0 | 0.933333 | -5.57 | C1(CCC(F)(F)CC1)C | 9 |
| 3fuc_ligand_4_10.mol2 | 3fuc | 0.785714 | -6.05 | CCCCC(F)F | 7 |
| 1v48_ligand_4_10.mol2 | 1v48 | 0.785714 | -5.90 | CCCCC(F)F | 7 |
| 2c94_ligand_4_120.mol2 | 2c94 | 0.785714 | -5.74 | C(CCC)C(F)F | 7 |
| 4j03_ligand_4_0.mol2 | 4j03 | 0.733333 | -6.30 | CCCC(F)(F)C(F)(F)F | 10 |
103 ,
11
