Common name
2-methylbutane
IUPAC name
2-methylbutane
SMILES
C(C)(C)CC
Common name
2-methylbutane
IUPAC name
2-methylbutane
SMILES
C(C)(C)CC
INCHI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
FORMULA
C5H12
Common name
2-methylbutane
IUPAC name
2-methylbutane
Molecular weight
72.149
clogP
1.166
clogS
-1.355
Frequency
0.0103
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 |
|---|---|---|---|---|
| FDBD01741 | Limaprost |
|
; | Limaprost is used for the improvement of various ischemic symptoms such as ulcer, pain and feeling of coldness associated with thromboangiitis obliterans as well as improvement of subjective symptoms (pain and numbness of lower legs) and gait ability associated with acquired lumbar spinal canal stenosis (in patients with bilateral intermittent claudication showing normal SLR test result). |
| FDBD01829 | Ixazomib |
|
Antineoplastic Agents; Protease Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Ixazomib is indicated in combination with lenalidomide and dexamethasone for the treatment of patients with multiple myeloma who have received at least one prior therapy. |
| FDBD01985 | epofenonane |
|
Insecticide | Insecticide |
| FDBD01987 | hydroprene |
|
Insecticide | Insecticide |
| FDBD01988 | kinoprene |
|
Insecticide | Insecticide |
| FDBD01989 | methoprene |
|
Insecticide | Insecticide |
| FDBD01991 | triprene |
|
Insecticide | Insecticide |
| FDBD02596 | EBEP |
|
Herbicide | Herbicide |
| FDBD02701 | esprocarb |
|
Herbicide | Herbicide |
| FDBD02747 | dimethametryn |
|
Herbicide | Herbicide |
30 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_2_7.mol2 | 4m3f | 1 | -6.83 | C(C(C)C)C | 5 |
| 3cvk_ligand_2_5.mol2 | 3cvk | 1 | -6.80 | C(C(C)(C)C)C | 6 |
| 1yt7_ligand_2_51.mol2 | 1yt7 | 1 | -6.59 | C(C(C)(C)C)C | 6 |
| 1gt3_ligand_2_0.mol2 | 1gt3 | 1 | -6.53 | CC(C)CC | 5 |
| 2v12_ligand_3_651.mol2 | 2v12 | 1 | -6.50 | C(C)(C)C(C)C | 6 |
| 2v0z_ligand_3_749.mol2 | 2v0z | 1 | -6.49 | CC(C)C(C)C | 6 |
| 4u82_ligand_3_251.mol2 | 4u82 | 1 | -6.46 | C(C(C)C)C | 5 |
| 4djh_ligand_2_9.mol2 | 4djh | 1 | -6.45 | C(C(C)C)C | 5 |
| 1dmt_ligand_2_26.mol2 | 1dmt | 1 | -6.44 | C(C(C)C)C | 5 |
| 1fbm_ligand_3_16.mol2 | 1fbm | 1 | -6.44 | C(C)(C)CC | 5 |
2388 ,
239
