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DocumentationIdentifier: MM234187
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234187 |
| SMILES |
C#CCCC(C)(O)C#CC
|
| InChIKey |
YZRFUHNESKVZCB-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132500
Similarity: 0.8462
Similarity to MM132500
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM240242
Similarity: 0.7982
Similarity to MM240242
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8878 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221947
Similarity: 0.7692
Similarity to MM221947
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8696 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+757 more
