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DocumentationIdentifier: MM58787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58787 |
| SMILES |
COCC(C)(C)C(=O)CO
|
| InChIKey |
VPRLYRXSORXCRK-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172361
Similarity: 0.7589
Similarity to MM172361
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137767
Similarity: 0.7321
Similarity to MM137767
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348951
Similarity: 0.685
Similarity to MM348951
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.8131 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
