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DocumentationIdentifier: MM52021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52021 |
| SMILES |
CN(CC#N)C(CO)CO
|
| InChIKey |
NOKOYKJTJUUBKF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM259812
Similarity: 0.8953
Similarity to MM259812
| Tanimoto metric | 0.8953 |
|---|---|
| Cosine metric | 0.9462 |
| Dice metric | 0.9448 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196853
Similarity: 0.7442
Similarity to MM196853
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44339
Similarity: 0.7
Similarity to MM44339
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8235 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
