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DocumentationIdentifier: MM222704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222704 |
| SMILES |
C=C(C)C(=C)OC(C)(C)C
|
| InChIKey |
UNARBFUJLGCYQR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133989
Similarity: 0.8585
Similarity to MM133989
| Tanimoto metric | 0.8585 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9239 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108502
Similarity: 0.6698
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| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8023 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130208
Similarity: 0.6698
Similarity to MM130208
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8023 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
