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DocumentationIdentifier: MM97119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97119 |
| SMILES |
CC(F)C(C)(C)C
|
| InChIKey |
AOBXEFKIIYQSSJ-UHFFFAOYSA-N
|
| MW [Da] |
104.17
Automatically obtained from RDkit software. |
| LogP |
2.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24238
Similarity: 0.75
Similarity to MM24238
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 90.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102476
Similarity: 0.7442
Similarity to MM102476
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103244
Similarity: 0.64
Similarity to MM103244
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.7805 |
| MW: | 122.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
