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DocumentationIdentifier: MM318612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318612 |
| SMILES |
C=C(CC)CCC(=C)CC
|
| InChIKey |
JBIIGSUKDPEODW-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251030
Similarity: 0.9804
Similarity to MM251030
| Tanimoto metric | 0.9804 |
|---|---|
| Cosine metric | 0.9901 |
| Dice metric | 0.9901 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144794
Similarity: 0.96
Similarity to MM144794
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9798 |
| Dice metric | 0.9796 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156216
Similarity: 0.8431
Similarity to MM156216
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9149 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
