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DocumentationIdentifier: MM97285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97285 |
| SMILES |
C#CC(F)(F)CC
|
| InChIKey |
IMRTVRQHRKOYCU-UHFFFAOYSA-N
|
| MW [Da] |
104.1
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103142
Similarity: 0.7627
Similarity to MM103142
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 114.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103221
Similarity: 0.7143
Similarity to MM103221
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103134
Similarity: 0.6716
Similarity to MM103134
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8036 |
| MW: | 116.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
