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DocumentationIdentifier: MM382951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382951 |
| SMILES |
CN=CNC(=CCO)CO
|
| InChIKey |
MSZHGUBMPZKLEM-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.9
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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MM86600
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| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM159067
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| Tanimoto metric | 0.7545 |
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| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM418437
Similarity: 0.7339
Similarity to MM418437
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8465 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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