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DocumentationIdentifier: MM196787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196787 |
| SMILES |
CCC(N)C(CO)CO
|
| InChIKey |
SYZUAYUNLUCJLW-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406406
Similarity: 0.875
Similarity to MM406406
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84061
Similarity: 0.8286
Similarity to MM84061
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71337
Similarity: 0.7571
Similarity to MM71337
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8618 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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