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DocumentationIdentifier: MM334417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334417 |
| SMILES |
C=C(C=O)CC(C#N)=CF
|
| InChIKey |
FVHIPQVFORMFLC-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150498
Similarity: 0.7395
Similarity to MM150498
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142818
Similarity: 0.7059
Similarity to MM142818
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334418
Similarity: 0.6822
Similarity to MM334418
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.8111 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
