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DocumentationIdentifier: MM424866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424866 |
| SMILES |
CCN(C=O)C=CCC#N
|
| InChIKey |
AEBNPEROKHJTQU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200655
Similarity: 0.8105
Similarity to MM200655
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73862
Similarity: 0.7857
Similarity to MM73862
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.88 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89054
Similarity: 0.7345
Similarity to MM89054
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8469 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
