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DocumentationIdentifier: MM252834
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252834 |
| SMILES |
C=C(C#CC(F)F)NC=O
|
| InChIKey |
KVAZCZHDGXABGZ-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158561
Similarity: 0.85
Similarity to MM158561
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107719
Similarity: 0.65
Similarity to MM107719
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89594
Similarity: 0.6391
Similarity to MM89594
| Tanimoto metric | 0.6391 |
|---|---|
| Cosine metric | 0.7825 |
| Dice metric | 0.7798 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
