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DocumentationIdentifier: MM142230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142230 |
| SMILES |
CCC(=O)CC(F)C#N
|
| InChIKey |
BQJAVDKFFDGUBC-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
MM262669
Similarity: 0.9
Similarity to MM262669
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15636
Similarity: 0.8654
Similarity to MM15636
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246106
Similarity: 0.7965
Similarity to MM246106
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
