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DocumentationIdentifier: MM228151
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228151 |
| SMILES |
CC(=O)CCC(F)(F)C#N
|
| InChIKey |
VIJKAHYTBBQBCA-UHFFFAOYSA-N
|
| MW [Da] |
147.12
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
MM138416
Similarity: 0.7568
Similarity to MM138416
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130402
Similarity: 0.6847
Similarity to MM130402
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8128 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317425
Similarity: 0.648
Similarity to MM317425
| Tanimoto metric | 0.648 |
|---|---|
| Cosine metric | 0.7888 |
| Dice metric | 0.7864 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
