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DocumentationIdentifier: MM448470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448470 |
| SMILES |
CCOCCOC=CC#N
|
| InChIKey |
TYHMBKUJRJBGBM-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56197
Similarity: 0.8814
Similarity to MM56197
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.9388 |
| Dice metric | 0.9369 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448913
Similarity: 0.8525
Similarity to MM448913
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9204 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213226
Similarity: 0.7966
Similarity to MM213226
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
