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DocumentationIdentifier: MM282895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282895 |
| SMILES |
N#CCC(=O)C#CCC=O
|
| InChIKey |
NEMUJQAJYMFZGE-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158556
Similarity: 0.8765
Similarity to MM158556
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282840
Similarity: 0.8588
Similarity to MM282840
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9241 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71099
Similarity: 0.7978
Similarity to MM71099
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8875 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
