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DocumentationIdentifier: MM108448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108448 |
| SMILES |
C#CCC(=O)C(C)C
|
| InChIKey |
LDFJONDWAVIECT-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132164
Similarity: 0.7879
Similarity to MM132164
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163092
Similarity: 0.7761
Similarity to MM163092
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112047
Similarity: 0.75
Similarity to MM112047
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8571 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
