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DocumentationIdentifier: MM78164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78164 |
| SMILES |
C#CC(C#C)(CO)OC=O
|
| InChIKey |
KXLLJMVRHQQCFF-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139636
Similarity: 0.6486
Similarity to MM139636
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.7869 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313157
Similarity: 0.6404
Similarity to MM313157
| Tanimoto metric | 0.6404 |
|---|---|
| Cosine metric | 0.7948 |
| Dice metric | 0.7807 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37662
Similarity: 0.5856
Similarity to MM37662
| Tanimoto metric | 0.5856 |
|---|---|
| Cosine metric | 0.7652 |
| Dice metric | 0.7386 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
