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DocumentationIdentifier: MM43945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43945 |
| SMILES |
NCC(F)(F)F
|
| InChIKey |
KIPSRYDSZQRPEA-UHFFFAOYSA-N
|
| MW [Da] |
99.06
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97075
Similarity: 0.7059
Similarity to MM97075
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 113.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44387
Similarity: 0.6
Similarity to MM44387
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 113.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23563
Similarity: 0.5833
Similarity to MM23563
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7368 |
| MW: | 84.04 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
