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DocumentationIdentifier: MM172524
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172524 |
| SMILES |
CCC(=O)C(F)CC#N
|
| InChIKey |
OWEYIRPQBYRVKU-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293258
Similarity: 0.7355
Similarity to MM293258
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111727
Similarity: 0.6966
Similarity to MM111727
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8212 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172527
Similarity: 0.6486
Similarity to MM172527
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7872 |
| Dice metric | 0.7869 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
