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DocumentationIdentifier: MM71688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71688 |
| SMILES |
C=COC(C)C(O)CCO
|
| InChIKey |
CGNDMOQIKCZNBX-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171988
Similarity: 0.7982
Similarity to MM171988
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93983
Similarity: 0.746
Similarity to MM93983
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8545 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171869
Similarity: 0.7431
Similarity to MM171869
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
