Common name
butane
IUPAC name
butane
SMILES
CCCC
Common name
butane
IUPAC name
butane
SMILES
CCCC
INCHI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
FORMULA
C4H10
Common name
butane
IUPAC name
butane
Molecular weight
58.122
clogP
0.893
clogS
-1.283
Frequency
0.0680
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 |
|---|---|---|---|---|
| FDBD02896 | dodine |
|
Fungicide | Fungicide |
| FDBD02956 | trichlamide |
|
Fungicide | Fungicide |
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
| FDBD02979 | coumoxystrobin |
|
Fungicide | Fungicide |
| FDBD03008 | benomyl |
|
Fungicide | Fungicide |
| FDBD03011 | cypendazole |
|
Fungicide | Fungicide |
| FDBD03069 | myclobutanil |
|
Fungicide | Fungicide |
| FDBD03070 | penconazole |
|
Fungicide | Fungicide |
| FDBD03098 | binapacryl |
|
Fungicide | Fungicide |
| FDBD03099 | dinobuton |
|
Fungicide | Fungicide |
198 ,
20
| 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
