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DocumentationIdentifier: MM58380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58380 |
| SMILES |
C#CC(C)(C=O)OC(C)=O
|
| InChIKey |
RDVJIDJOIQFSNM-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44573
Similarity: 0.7424
Similarity to MM44573
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42429
Similarity: 0.7273
Similarity to MM42429
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130889
Similarity: 0.6515
Similarity to MM130889
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.789 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
