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DocumentationIdentifier: MM313148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313148 |
| SMILES |
C#CC(C#C)(C#C)OCC
|
| InChIKey |
ULVWNNHHXMFXOA-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139629
Similarity: 0.9429
Similarity to MM139629
| Tanimoto metric | 0.9429 |
|---|---|
| Cosine metric | 0.971 |
| Dice metric | 0.9706 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229214
Similarity: 0.8571
Similarity to MM229214
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9231 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309808
Similarity: 0.8462
Similarity to MM309808
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9167 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
