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DocumentationIdentifier: MM386668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386668 |
| SMILES |
C#CCC(C#C)=COCC
|
| InChIKey |
JHHCHJDAFZHYOA-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179380
Similarity: 0.81
Similarity to MM179380
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201815
Similarity: 0.8
Similarity to MM201815
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439239
Similarity: 0.7455
Similarity to MM439239
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8542 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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