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DocumentationIdentifier: MM84041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84041 |
| SMILES |
C#CCOC(=O)C#CC#N
|
| InChIKey |
YTLDLFSLXNHJBO-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158532
Similarity: 0.9011
Similarity to MM158532
| Tanimoto metric | 0.9011 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.948 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84020
Similarity: 0.8058
Similarity to MM84020
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8925 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371270
Similarity: 0.8021
Similarity to MM371270
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8902 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
