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DocumentationIdentifier: MM234599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234599 |
| SMILES |
CN(C)C(C)(C)C(F)C#N
|
| InChIKey |
AOVNCNWERRTBQO-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
MM160040
Similarity: 0.7324
Similarity to MM160040
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132900
Similarity: 0.6831
Similarity to MM132900
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8117 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27836
Similarity: 0.5876
Similarity to MM27836
| Tanimoto metric | 0.5876 |
|---|---|
| Cosine metric | 0.7403 |
| Dice metric | 0.7402 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
