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DocumentationIdentifier: MM126600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126600 |
| SMILES |
C#CC=CC#CCF
|
| InChIKey |
SURJBVGZODIELK-UHFFFAOYSA-N
|
| MW [Da] |
108.12
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215908
Similarity: 0.9524
Similarity to MM215908
| Tanimoto metric | 0.9524 |
|---|---|
| Cosine metric | 0.9759 |
| Dice metric | 0.9756 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458427
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Similarity to MM458427
| Tanimoto metric | 0.9524 |
|---|---|
| Cosine metric | 0.9759 |
| Dice metric | 0.9756 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM458442
Similarity: 0.8511
Similarity to MM458442
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
