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DocumentationIdentifier: MM196853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196853 |
| SMILES |
CCN(C)C(CO)CO
|
| InChIKey |
APXUWIRGDASPJA-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67225
Similarity: 0.8438
Similarity to MM67225
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57367
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| Tanimoto metric | 0.7619 |
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| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM406537
Similarity: 0.7619
Similarity to MM406537
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
