Common name
4,4-difluorocyclohexanecarboxamide
IUPAC name
4,4-difluorocyclohexanecarboxamide
SMILES
FC1(CCC(CC1)C(=O)N)F
Common name
4,4-difluorocyclohexanecarboxamide
IUPAC name
4,4-difluorocyclohexanecarboxamide
SMILES
FC1(CCC(CC1)C(=O)N)F
INCHI
InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)
FORMULA
C7H11F2NO
Common name
4,4-difluorocyclohexanecarboxamide
IUPAC name
4,4-difluorocyclohexanecarboxamide
Molecular weight
163.165
clogP
1.486
clogS
-1.444
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
1
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4nah_ligand_2_12.mol2 | 4nah | 0.774194 | -7.01 | C(=O)(NC)C1CCCCC1 | 10 |
| 4nau_ligand_2_10.mol2 | 4nau | 0.774194 | -6.92 | C1CCCCC1C(=O)NC | 10 |
| 4x6j_ligand_2_4.mol2 | 4x6j | 0.774194 | -6.75 | CNC(=O)C1CCCCC1 | 10 |
| 4ty7_ligand_2_10.mol2 | 4ty7 | 0.774194 | -6.65 | CNC(=O)C1CCCCC1 | 10 |
| 4wxi_ligand_2_17.mol2 | 4wxi | 0.774194 | -6.65 | CNC(=O)C1CCCCC1 | 10 |
| 3hd3_ligand_2_42.mol2 | 3hd3 | 0.774194 | -6.64 | N(C(=O)C1CCCCC1)C | 10 |
| 4ty6_ligand_2_2.mol2 | 4ty6 | 0.774194 | -6.63 | CNC(=O)C1CCCCC1 | 10 |
| 2f1g_ligand_4_34.mol2 | 2f1g | 0.774194 | -6.59 | C(C1CCCCC1)CC(=O)NC | 12 |
105 ,
11
