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DocumentationIdentifier: MM27700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27700 |
| SMILES |
C=CC(=CC)OC
|
| InChIKey |
BJLIERJEWCSMAV-UHFFFAOYSA-N
|
| MW [Da] |
98.15
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116638
Similarity: 0.7833
Similarity to MM116638
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8785 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38410
Similarity: 0.7705
Similarity to MM38410
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116561
Similarity: 0.746
Similarity to MM116561
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
