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DocumentationIdentifier: MM84137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84137 |
| SMILES |
N#CC(F)(F)CNC=N
|
| InChIKey |
VZANNUIJWMCCGR-UHFFFAOYSA-N
|
| MW [Da] |
133.1
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM240120
Similarity: 0.844
Similarity to MM240120
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM96134
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| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8052 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167275
Similarity: 0.6168
Similarity to MM167275
| Tanimoto metric | 0.6168 |
|---|---|
| Cosine metric | 0.7646 |
| Dice metric | 0.763 |
| MW: | 129.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
