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DocumentationIdentifier: MM296245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296245 |
| SMILES |
C=C(CCN)C(C)=CCO
|
| InChIKey |
DOXREEVNRCEFCR-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175436
Similarity: 0.7589
Similarity to MM175436
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174846
Similarity: 0.75
Similarity to MM174846
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384006
Similarity: 0.6831
Similarity to MM384006
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.8117 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
