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DocumentationIdentifier: MM229819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229819 |
| SMILES |
CC(C)(F)C(O)(C#N)CF
|
| InChIKey |
SEOYLTQUBLSVMI-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.96
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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MM131033
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Similarity to MM131033
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7101 |
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| Cosine metric | 0.8427 |
| Dice metric | 0.8304 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244336
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Similarity to MM244336
| Tanimoto metric | 0.5581 |
|---|---|
| Cosine metric | 0.7164 |
| Dice metric | 0.7164 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
