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DocumentationIdentifier: MM54868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54868 |
| SMILES |
C=CCOC(C=O)=CN
|
| InChIKey |
XDPYURKBOALCDT-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417218
Similarity: 0.8447
Similarity to MM417218
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417227
Similarity: 0.8131
Similarity to MM417227
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38097
Similarity: 0.7931
Similarity to MM38097
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
