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DocumentationIdentifier: MM71988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71988 |
| SMILES |
C#CCOC(=O)C=CCN
|
| InChIKey |
VUFVOADJTTXHOK-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157361
Similarity: 0.8182
Similarity to MM157361
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157956
Similarity: 0.798
Similarity to MM157956
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83803
Similarity: 0.7364
Similarity to MM83803
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8482 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
