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DocumentationIdentifier: MM102572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102572 |
| SMILES |
CC(C)(C)C(F)C#N
|
| InChIKey |
GLBGTXHTJXXIBX-UHFFFAOYSA-N
|
| MW [Da] |
115.15
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26998
Similarity: 0.7925
Similarity to MM26998
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137661
Similarity: 0.6543
Similarity to MM137661
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.791 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137536
Similarity: 0.6543
Similarity to MM137536
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.791 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
