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DocumentationIdentifier: MM456826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456826 |
| SMILES |
COC=CC=COCCO
|
| InChIKey |
NNJMUCYXWLQPLW-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39387
Similarity: 0.86
Similarity to MM39387
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9247 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215505
Similarity: 0.82
Similarity to MM215505
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213711
Similarity: 0.7679
Similarity to MM213711
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8687 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
