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DocumentationIdentifier: MM388289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388289 |
| SMILES |
C#CC(F)C(C#N)C(F)F
|
| InChIKey |
GXZLWTLYOHURCB-UHFFFAOYSA-N
|
| MW [Da] |
147.1
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388235
Similarity: 0.5759
Similarity to MM388235
| Tanimoto metric | 0.5759 |
|---|---|
| Cosine metric | 0.7316 |
| Dice metric | 0.7309 |
| MW: | 148.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388233
Similarity: 0.561
Similarity to MM388233
| Tanimoto metric | 0.561 |
|---|---|
| Cosine metric | 0.7188 |
| Dice metric | 0.7188 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233615
Similarity: 0.477
Similarity to MM233615
| Tanimoto metric | 0.477 |
|---|---|
| Cosine metric | 0.646 |
| Dice metric | 0.6459 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
