Common name
2,2-dimethylpropyl carbamate
IUPAC name
2,2-dimethylpropyl carbamate
SMILES
C(C(C)(C)C)OC(=O)N
Common name
2,2-dimethylpropyl carbamate
IUPAC name
2,2-dimethylpropyl carbamate
SMILES
C(C(C)(C)C)OC(=O)N
INCHI
InChI=1S/C6H13NO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H2,7,8)
FORMULA
C6H13NO2
Common name
2,2-dimethylpropyl carbamate
IUPAC name
2,2-dimethylpropyl carbamate
Molecular weight
131.173
clogP
0.013
clogS
-0.789
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00254 | Meprobamate |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Anticonvulsants; Muscle Relaxants, Central; Nervous System; Anxiolytics; Psycholeptics; Carbamates; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety. |
| FDBD00275 | Carisoprodol |
|
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Inducers; | For the relief of discomfort associated with acute, painful, musculoskeletal conditions. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_2_46.mol2 | 1yt7 | 1 | -6.63 | C(C(C)(C)C)OC(=O)N | 9 |
| 2aux_ligand_2_27.mol2 | 2aux | 1 | -6.27 | NC(=O)OCC(C)C | 8 |
| 4r1y_ligand_3_185.mol2 | 4r1y | 1 | -5.73 | C(OC(=O)N)CC | 7 |
| 2a4r_ligand_2_0.mol2 | 2a4r | 1 | -5.45 | C(OC(=O)N)C(C)C | 8 |
| 2a4g_ligand_2_0.mol2 | 2a4g | 1 | -5.42 | C(=O)(OCC(C)C)N | 8 |
| 2fs8_ligand_2_0.mol2 | 2fs8 | 1 | -5.36 | C(=O)(OCCC)N | 7 |
| 1w10_ligand_2_65.mol2 | 1w10 | 1 | -5.35 | C(C)(C)COC(=O)N | 8 |
| 2f9v_ligand_2_0.mol2 | 2f9v | 1 | -5.35 | C(OC(=O)N)C(C)C | 8 |
100 ,
11
