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DocumentationIdentifier: MM340833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340833 |
| SMILES |
CCC(C#N)CCC(N)=O
|
| InChIKey |
NBOPEUIRYNAZPE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43725
Similarity: 0.7895
Similarity to MM43725
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346057
Similarity: 0.6947
Similarity to MM346057
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8199 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335279
Similarity: 0.6667
Similarity to MM335279
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
