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DocumentationIdentifier: MM133989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133989 |
| SMILES |
C=C(C)C(=C)OC(C)C
|
| InChIKey |
BJXOKOZBGIWMAR-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222704
Similarity: 0.8585
Similarity to MM222704
| Tanimoto metric | 0.8585 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9239 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108502
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| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246707
Similarity: 0.7109
Similarity to MM246707
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
