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DocumentationIdentifier: MM307401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307401 |
| SMILES |
C#CC(F)(C#N)C(=O)CF
|
| InChIKey |
UZOFIVFBCOIXNO-UHFFFAOYSA-N
|
| MW [Da] |
143.09
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77003
Similarity: 0.6154
Similarity to MM77003
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.762 |
| Dice metric | 0.7619 |
| MW: | 135.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307440
Similarity: 0.5967
Similarity to MM307440
| Tanimoto metric | 0.5967 |
|---|---|
| Cosine metric | 0.7475 |
| Dice metric | 0.7474 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307317
Similarity: 0.5885
Similarity to MM307317
| Tanimoto metric | 0.5885 |
|---|---|
| Cosine metric | 0.7502 |
| Dice metric | 0.741 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
