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DocumentationIdentifier: MM60443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60443 |
| SMILES |
COC(C#N)C(C)(F)C#N
|
| InChIKey |
ASYGPDNOCADGPB-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41567
Similarity: 0.7091
Similarity to MM41567
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8298 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131385
Similarity: 0.703
Similarity to MM131385
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8256 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53256
Similarity: 0.6727
Similarity to MM53256
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
