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DocumentationIdentifier: MM240927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240927 |
| SMILES |
CCCC=CC(C)(C)OC
|
| InChIKey |
WAGKRXMNSJBELZ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138761
Similarity: 0.8452
Similarity to MM138761
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345701
Similarity: 0.8077
Similarity to MM345701
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228322
Similarity: 0.7717
Similarity to MM228322
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8712 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+830 more
