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DocumentationIdentifier: MM126594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126594 |
| SMILES |
C=CC#CC=CC=O
|
| InChIKey |
STMONIUFGQAVAB-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216234
Similarity: 0.9512
Similarity to MM216234
| Tanimoto metric | 0.9512 |
|---|---|
| Cosine metric | 0.9753 |
| Dice metric | 0.975 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100970
Similarity: 0.8718
Similarity to MM100970
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 94.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216236
Similarity: 0.7358
Similarity to MM216236
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
