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DocumentationIdentifier: MM131385
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131385 |
| SMILES |
COC(C#N)C(C)(C)F
|
| InChIKey |
CFOYINRLZFWNAK-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM232048
Similarity: 0.7733
Similarity to MM232048
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116960
Similarity: 0.7155
Similarity to MM116960
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60443
Similarity: 0.703
Similarity to MM60443
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8256 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
