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DocumentationIdentifier: MM268431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268431 |
| SMILES |
CC(CN)C(C)CC(N)=O
|
| InChIKey |
XECQJVLMYCTEJU-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
MM344349
Similarity: 0.8
Similarity to MM344349
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275014
Similarity: 0.7477
Similarity to MM275014
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8556 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347827
Similarity: 0.7347
Similarity to MM347827
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8471 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
