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DocumentationIdentifier: MM178264
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178264 |
| SMILES |
O=CNC(C=O)C=CF
|
| InChIKey |
DUPKOGGTOVYBNF-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.22
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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MM116192
Similarity: 0.7174
Similarity to MM116192
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274051
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| Tanimoto metric | 0.6866 |
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| Cosine metric | 0.8286 |
| Dice metric | 0.8142 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM34079
Similarity: 0.6739
Similarity to MM34079
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8052 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
