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DocumentationIdentifier: MM225740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225740 |
| SMILES |
C=CC(C)(C)C(=C)C(C)C
|
| InChIKey |
JCOAJYJIRSYLLP-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223905
Similarity: 0.8929
Similarity to MM223905
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9434 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137876
Similarity: 0.8659
Similarity to MM137876
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242355
Similarity: 0.8222
Similarity to MM242355
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.9024 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
