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DocumentationIdentifier: MM360378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360378 |
| SMILES |
CC(C#N)C(F)=COC=O
|
| InChIKey |
SQBXUFYQULPQFY-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159605
Similarity: 0.7436
Similarity to MM159605
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242858
Similarity: 0.6857
Similarity to MM242858
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8136 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420284
Similarity: 0.6471
Similarity to MM420284
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7877 |
| Dice metric | 0.7857 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
