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DocumentationIdentifier: MM268372
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268372 |
| SMILES |
CC(F)CC(O)C(F)C#N
|
| InChIKey |
FCIQPAHFUQSXRS-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84525
Similarity: 0.7744
Similarity to MM84525
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8729 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261636
Similarity: 0.6788
Similarity to MM261636
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8087 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141656
Similarity: 0.637
Similarity to MM141656
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7871 |
| Dice metric | 0.7783 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
