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DocumentationIdentifier: MM241840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241840 |
| SMILES |
COCC(O)C(C)(C)CO
|
| InChIKey |
FQOMVQJZCOVIFY-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM233122
Similarity: 0.7909
Similarity to MM233122
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8832 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406444
Similarity: 0.7327
Similarity to MM406444
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8457 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132007
Similarity: 0.6979
Similarity to MM132007
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
