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DocumentationIdentifier: MM53232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53232 |
| SMILES |
COC(C#N)C(F)CO
|
| InChIKey |
GGKYUUXBSUWJOR-UHFFFAOYSA-N
|
| MW [Da] |
133.12
Automatically obtained from RDkit software. |
| LogP |
-0.14
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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MM94136
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| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116960
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Similarity to MM116960
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35387
Similarity: 0.6696
Similarity to MM35387
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 119.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
