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DocumentationIdentifier: MM459585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM459585 |
| SMILES |
C#CC=CC=COC1CC1
|
| InChIKey |
LGGDNYBRCHVCHU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM459571
Similarity: 0.8043
Similarity to MM459571
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8916 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459555
Similarity: 0.7708
Similarity to MM459555
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8706 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127177
Similarity: 0.7356
Similarity to MM127177
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
