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DocumentationIdentifier: MM366290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366290 |
| SMILES |
C#CC=CC=CC(=C)OC
|
| InChIKey |
ACQKUOPXZLLOJB-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170211
Similarity: 0.8052
Similarity to MM170211
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282156
Similarity: 0.6923
Similarity to MM282156
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8182 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366169
Similarity: 0.6889
Similarity to MM366169
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8158 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
