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DocumentationIdentifier: MM233997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233997 |
| SMILES |
C#CCC(F)(F)CNC=N
|
| InChIKey |
DEVBBWNIKCODLX-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96142
Similarity: 0.7565
Similarity to MM96142
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226238
Similarity: 0.6268
Similarity to MM226238
| Tanimoto metric | 0.6268 |
|---|---|
| Cosine metric | 0.7706 |
| Dice metric | 0.7706 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228007
Similarity: 0.5878
Similarity to MM228007
| Tanimoto metric | 0.5878 |
|---|---|
| Cosine metric | 0.7406 |
| Dice metric | 0.7404 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
