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DocumentationIdentifier: MM65591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65591 |
| SMILES |
C=CC(CNC)OC=O
|
| InChIKey |
TWGOVFOCSSTTGA-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272142
Similarity: 0.8273
Similarity to MM272142
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65598
Similarity: 0.7054
Similarity to MM65598
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8273 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68677
Similarity: 0.7
Similarity to MM68677
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
