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DocumentationIdentifier: MM67471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67471 |
| SMILES |
CC(=O)OC(C#N)=CCO
|
| InChIKey |
AGYHVZGERXEQRH-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150563
Similarity: 0.797
Similarity to MM150563
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51965
Similarity: 0.7143
Similarity to MM51965
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67512
Similarity: 0.6948
Similarity to MM67512
| Tanimoto metric | 0.6948 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8199 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
