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DocumentationIdentifier: MM116233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116233 |
| SMILES |
C#CC(C=O)OC=O
|
| InChIKey |
DGPZTPHUPLFXLM-UHFFFAOYSA-N
|
| MW [Da] |
112.08
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42429
Similarity: 0.7083
Similarity to MM42429
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44573
Similarity: 0.6939
Similarity to MM44573
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380054
Similarity: 0.6476
Similarity to MM380054
| Tanimoto metric | 0.6476 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.7861 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
