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DocumentationIdentifier: MM80237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80237 |
| SMILES |
CN(C)C(C#N)(C=O)CO
|
| InChIKey |
OJOYHOGFVZWHEQ-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38595
Similarity: 0.6395
Similarity to MM38595
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47431
Similarity: 0.6395
Similarity to MM47431
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78343
Similarity: 0.589
Similarity to MM78343
| Tanimoto metric | 0.589 |
|---|---|
| Cosine metric | 0.7482 |
| Dice metric | 0.7413 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
