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DocumentationIdentifier: MM80905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80905 |
| SMILES |
CC(C)C(CCN)C(N)=O
|
| InChIKey |
NEFPWBKLZNMLIA-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388362
Similarity: 0.9048
Similarity to MM388362
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.95 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81352
Similarity: 0.7913
Similarity to MM81352
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8835 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341164
Similarity: 0.7677
Similarity to MM341164
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
