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DocumentationIdentifier: MM33664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33664 |
| SMILES |
CON=CCOCCC#N
|
| InChIKey |
JHEJTPYZQGCKRH-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84322
Similarity: 0.725
Similarity to MM84322
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8406 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449084
Similarity: 0.6824
Similarity to MM449084
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8112 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448334
Similarity: 0.6744
Similarity to MM448334
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8056 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
