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DocumentationIdentifier: MM60647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60647 |
| SMILES |
CC(F)(C=O)COCC#N
|
| InChIKey |
BIUBMDWUEUSOQY-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41879
Similarity: 0.8318
Similarity to MM41879
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239672
Similarity: 0.7672
Similarity to MM239672
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8683 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15858
Similarity: 0.7196
Similarity to MM15858
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
