Identifier: MM21981
2D Structure
3D Structure
Source:
General | |
Identifier | MM21981 |
SMILES |
O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F
|
InChIKey |
ZGUXNXIMDOZLHW-UHFFFAOYSA-N
|
MW [Da] |
485.35
Automatically obtained from RDkit software. |
LogP |
5.57
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM21980
Similarity: 0.9568
Similarity to MM21980
Tanimoto metric | 0.9568 |
---|---|
Cosine metric | 0.9781 |
Dice metric | 0.9779 |
MW: | 497.36 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 5.64 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM31329
Similarity: 0.9312
Similarity to MM31329
Tanimoto metric | 0.9312 |
---|---|
Cosine metric | 0.965 |
Dice metric | 0.9644 |
MW: | 499.38 |
||||
---|---|---|---|---|---|
PI: | 0
Total passive interactions
|
LogP: | 5.88 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
1235403-62-9
Similarity: 0.9261
Similarity to 1235403-62-9
Tanimoto metric | 0.9261 |
---|---|
Cosine metric | 0.9623 |
Dice metric | 0.9616 |
MW: | 500.36 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 5.15 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+223 more