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DocumentationIdentifier: MM458388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM458388 |
| SMILES |
C#CC=CC=CC#CCF
|
| InChIKey |
LDVROXDBJWFQJW-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215881
Similarity: 0.9615
Similarity to MM215881
| Tanimoto metric | 0.9615 |
|---|---|
| Cosine metric | 0.9806 |
| Dice metric | 0.9804 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458315
Similarity: 0.8621
Similarity to MM458315
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9259 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126585
Similarity: 0.8462
Similarity to MM126585
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+647 more
