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DocumentationIdentifier: MM406616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406616 |
| SMILES |
C=COC(C)C(CO)OC
|
| InChIKey |
ATCKDWBYGFIXDB-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93986
Similarity: 0.9143
Similarity to MM93986
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9553 |
| Dice metric | 0.9552 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171991
Similarity: 0.8431
Similarity to MM171991
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375994
Similarity: 0.7965
Similarity to MM375994
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8867 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
