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DocumentationIdentifier: MM225525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225525 |
| SMILES |
C#CC(C)(C)C(F)C(C)C
|
| InChIKey |
IQZXKYHUDUVYBL-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160079
Similarity: 0.7582
Similarity to MM160079
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242082
Similarity: 0.708
Similarity to MM242082
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.829 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242081
Similarity: 0.678
Similarity to MM242081
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.8081 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
