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DocumentationIdentifier: MM63639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63639 |
| SMILES |
CC(C)=CC(CN)OC=O
|
| InChIKey |
RHPAMUULDHHTEL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178190
Similarity: 0.8257
Similarity to MM178190
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272778
Similarity: 0.6164
Similarity to MM272778
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7649 |
| Dice metric | 0.7627 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273994
Similarity: 0.5974
Similarity to MM273994
| Tanimoto metric | 0.5974 |
|---|---|
| Cosine metric | 0.7529 |
| Dice metric | 0.748 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
