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DocumentationIdentifier: MM355093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355093 |
| SMILES |
CCC(N)C(O)C=CCN
|
| InChIKey |
LUWPGAHYMGCWFC-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM173956
Similarity: 0.8362
Similarity to MM173956
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255340
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| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8393 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305705
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Similarity to MM305705
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8273 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
