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DocumentationIdentifier: MM199241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199241 |
| SMILES |
C=CCCC(C=C)C=C
|
| InChIKey |
KXLOIBQHPSHBFJ-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM327922
Similarity: 0.9149
Similarity to MM327922
| Tanimoto metric | 0.9149 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9556 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116153
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| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM149811
Similarity: 0.8298
Similarity to MM149811
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.907 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
