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DocumentationIdentifier: MM438825
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438825 |
| SMILES |
CCC(C)=C(C)C(C)(C)O
|
| InChIKey |
DZSIJACBBWTQMB-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375512
Similarity: 0.8361
Similarity to MM375512
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9107 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399155
Similarity: 0.8033
Similarity to MM399155
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8909 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418373
Similarity: 0.7949
Similarity to MM418373
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+538 more
