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DocumentationIdentifier: MM254931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254931 |
| SMILES |
CC(C)COC(=O)C(C)O
|
| InChIKey |
WBPAQKQBUKYCJS-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231381
Similarity: 0.7869
Similarity to MM231381
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8807 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73169
Similarity: 0.75
Similarity to MM73169
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73209
Similarity: 0.725
Similarity to MM73209
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8406 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
