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DocumentationIdentifier: MM224199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224199 |
| SMILES |
CC(C)(C)NC(C#N)CF
|
| InChIKey |
XMTNKUXEPWCIQP-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226198
Similarity: 0.7813
Similarity to MM226198
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8773 |
| Dice metric | 0.8772 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198852
Similarity: 0.7065
Similarity to MM198852
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.828 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326232
Similarity: 0.6667
Similarity to MM326232
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.8 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
