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DocumentationIdentifier: MM305489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305489 |
| SMILES |
C=CCN(CC#N)C(C)=O
|
| InChIKey |
PPBMOJLBBWNVKD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377914
Similarity: 0.823
Similarity to MM377914
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9029 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52263
Similarity: 0.7327
Similarity to MM52263
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25429
Similarity: 0.7168
Similarity to MM25429
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8351 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
