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DocumentationIdentifier: MM383154
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383154 |
| SMILES |
N#CC=CCN1CC1C=O
|
| InChIKey |
IPMUMQCYGMTGBS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382818
Similarity: 0.8905
Similarity to MM382818
| Tanimoto metric | 0.8905 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9421 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383152
Similarity: 0.8299
Similarity to MM383152
| Tanimoto metric | 0.8299 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9071 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382604
Similarity: 0.7518
Similarity to MM382604
| Tanimoto metric | 0.7518 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8583 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
