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DocumentationIdentifier: MM79738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79738 |
| SMILES |
CC(C#N)OC(C#N)CF
|
| InChIKey |
OEMGLPNECTZOLX-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
MM224207
Similarity: 0.7957
Similarity to MM224207
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8862 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02584
Similarity: 0.7841
Similarity to MM02584
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116035
Similarity: 0.7778
Similarity to MM116035
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
