Common name
bromoethane
IUPAC name
bromoethane
SMILES
BrCC
Common name
bromoethane
IUPAC name
bromoethane
SMILES
BrCC
INCHI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
FORMULA
C2H5Br
Common name
bromoethane
IUPAC name
bromoethane
Molecular weight
108.965
clogP
0.842
clogS
-1.459
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00124 | Pipobroman |
|
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; | For the treatment of polycythaemia vera and refractory chronic myeloid leukaemia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n8u_ligand_1_10.mol2 | 1n8u | 1 | -5.75 | CCBr | 3 |
| 1n8v_ligand_1_10.mol2 | 1n8v | 1 | -5.75 | C(Br)C | 3 |
| 4g93_ligand_1_3.mol2 | 4g93 | 1 | -5.44 | C(Br)C | 3 |
| 1n8u_ligand_2_54.mol2 | 1n8u | 0.666667 | -5.92 | CCCBr | 4 |
| 1n8v_ligand_2_54.mol2 | 1n8v | 0.666667 | -5.92 | CCCBr | 4 |
| 1n8u_ligand_3_164.mol2 | 1n8u | 0.5 | -6.13 | CCCCBr | 5 |
| 1n8v_ligand_3_164.mol2 | 1n8v | 0.5 | -6.13 | CCCCBr | 5 |
| 2ax9_ligand_frag_0.mol2 | 2ax9 | 0.444444 | -6.07 | BrC[C@@H](O)C | 5 |
6934 ,
694
