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DocumentationIdentifier: MM387519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387519 |
| SMILES |
C#CCC(C=C)CCOC
|
| InChIKey |
CBCNLZKMUTVAFU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198805
Similarity: 0.7191
Similarity to MM198805
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156030
Similarity: 0.6854
Similarity to MM156030
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339085
Similarity: 0.6762
Similarity to MM339085
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8068 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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