Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM31329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM31329 |
| SMILES |
Cc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl
|
| InChIKey |
DDSMPFUGZKCEIM-UHFFFAOYSA-N
|
| MW [Da] |
499.38
Automatically obtained from RDkit software. |
| LogP |
5.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM21981
Similarity: 0.9312
Similarity to MM21981
| Tanimoto metric | 0.9312 |
|---|---|
| Cosine metric | 0.965 |
| Dice metric | 0.9644 |
| MW: | 485.35 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM21980
Similarity: 0.8985
Similarity to MM21980
| Tanimoto metric | 0.8985 |
|---|---|
| Cosine metric | 0.9467 |
| Dice metric | 0.9465 |
| MW: | 497.36 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
1235403-62-9
Similarity: 0.8765
Similarity to 1235403-62-9
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.9342 |
| MW: | 500.36 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 5.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
