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DocumentationIdentifier: MM282942
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282942 |
| SMILES |
C#CCC(=O)C#CCC=O
|
| InChIKey |
GAYBJRZSGISQCS-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158613
Similarity: 0.8873
Similarity to MM158613
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282933
Similarity: 0.8667
Similarity to MM282933
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9286 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359263
Similarity: 0.863
Similarity to MM359263
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9265 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
