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DocumentationIdentifier: MM61508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61508 |
| SMILES |
CC(C=O)(CC#N)NC=O
|
| InChIKey |
DJWOZSZYGKTTAT-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42267
Similarity: 0.7339
Similarity to MM42267
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8465 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178039
Similarity: 0.7016
Similarity to MM178039
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243743
Similarity: 0.6026
Similarity to MM243743
| Tanimoto metric | 0.6026 |
|---|---|
| Cosine metric | 0.7523 |
| Dice metric | 0.7521 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
