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DocumentationIdentifier: MM89594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89594 |
| SMILES |
O=CNC(C#CCF)=CF
|
| InChIKey |
OKPMMOZEAKEYIS-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178763
Similarity: 0.822
Similarity to MM178763
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380739
Similarity: 0.7293
Similarity to MM380739
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8435 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158561
Similarity: 0.7203
Similarity to MM158561
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
