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DocumentationIdentifier: MM355424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355424 |
| SMILES |
C#CC=CC(O)C(N)CF
|
| InChIKey |
DUMLPWNUKHISAZ-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173959
Similarity: 0.8074
Similarity to MM173959
| Tanimoto metric | 0.8074 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8934 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37138
Similarity: 0.7333
Similarity to MM37138
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8462 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355099
Similarity: 0.7219
Similarity to MM355099
| Tanimoto metric | 0.7219 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8385 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
