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DocumentationIdentifier: MM244336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244336 |
| SMILES |
CC(F)C(O)(C#N)C(F)F
|
| InChIKey |
IKSXBSXOUBSGKM-UHFFFAOYSA-N
|
| MW [Da] |
153.1
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139894
Similarity: 0.7229
Similarity to MM139894
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40137
Similarity: 0.6089
Similarity to MM40137
| Tanimoto metric | 0.6089 |
|---|---|
| Cosine metric | 0.7659 |
| Dice metric | 0.7569 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM139896
Similarity: 0.5602
Similarity to MM139896
| Tanimoto metric | 0.5602 |
|---|---|
| Cosine metric | 0.7485 |
| Dice metric | 0.7181 |
| MW: | 139.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
