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DocumentationIdentifier: MM64572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64572 |
| SMILES |
NC(=O)C#CC=C(F)CF
|
| InChIKey |
GDORXBNMADJBQP-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133442
Similarity: 0.8019
Similarity to MM133442
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261094
Similarity: 0.6911
Similarity to MM261094
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8173 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261085
Similarity: 0.6905
Similarity to MM261085
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8169 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
