Common name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
IUPAC name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
SMILES
CC(C)NC(=O)OC1COCC1
Common name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
IUPAC name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
SMILES
CC(C)NC(=O)OC1COCC1
INCHI
InChI=1S/C8H15NO3/c1-6(2)9-8(10)12-7-3-4-11-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1
FORMULA
C8H15NO3
Common name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
IUPAC name
[(3S)-tetrahydrofuran-3-yl] N-isopropylcarbamate
Molecular weight
173.210
clogP
0.666
clogS
-1.059
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
47.56
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bbb_ligand_3_1.mol2 | 2bbb | 1 | -6.47 | O(C(=O)NCC)[C@@H]1COCC1 | 11 |
| 4mc9_ligand_3_53.mol2 | 4mc9 | 1 | -6.37 | [C@H]1(COCC1)OC(=O)NCC | 11 |
| 4mc1_ligand_3_53.mol2 | 4mc1 | 1 | -6.36 | [C@H]1(COCC1)OC(=O)NCC | 11 |
| 1npw_ligand_3_1.mol2 | 1npw | 1 | -6.35 | CCNC(=O)O[C@@H]1COCC1 | 11 |
| 4mc2_ligand_3_53.mol2 | 4mc2 | 1 | -6.31 | CCNC(=O)O[C@@H]1COCC1 | 11 |
106 ,
11
