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DocumentationIdentifier: MM326618
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326618 |
| SMILES |
N#CC(CF)CC(O)CF
|
| InChIKey |
VSXMAHVZTFLMPI-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44401
Similarity: 0.8091
Similarity to MM44401
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327014
Similarity: 0.752
Similarity to MM327014
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8584 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42749
Similarity: 0.7455
Similarity to MM42749
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
