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DocumentationIdentifier: MM220757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220757 |
| SMILES |
CN(C)C(C#N)C(C)(C)F
|
| InChIKey |
ROIZCPRSTBTIPP-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131381
Similarity: 0.7917
Similarity to MM131381
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232020
Similarity: 0.6647
Similarity to MM232020
| Tanimoto metric | 0.6647 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7986 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27836
Similarity: 0.6171
Similarity to MM27836
| Tanimoto metric | 0.6171 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7633 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
