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DocumentationIdentifier: MM200428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200428 |
| SMILES |
N#CC(=CF)OC=CF
|
| InChIKey |
KTGYTWHQGILFAI-UHFFFAOYSA-N
|
| MW [Da] |
131.08
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38146
Similarity: 0.8554
Similarity to MM38146
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 113.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113740
Similarity: 0.759
Similarity to MM113740
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 113.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150561
Similarity: 0.7353
Similarity to MM150561
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8475 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
