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DocumentationIdentifier: MM190320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM190320 |
| SMILES |
CN(C)C(C#N)(CO)CO
|
| InChIKey |
OJJJJJCKNRSIFG-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 |
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MM47431
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Similarity to MM47431
| Tanimoto metric | 0.8393 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9126 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52495
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM78343
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| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8393 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+180 more
