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DocumentationIdentifier: MM433269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433269 |
| SMILES |
CCCN1CC1(C#N)C=O
|
| InChIKey |
SERLEELLGSJGAI-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM336480
Similarity: 0.7942
Similarity to MM336480
| Tanimoto metric | 0.7942 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8853 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433705
Similarity: 0.7796
Similarity to MM433705
| Tanimoto metric | 0.7796 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8761 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433287
Similarity: 0.7461
Similarity to MM433287
| Tanimoto metric | 0.7461 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8546 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
