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DocumentationIdentifier: MM27473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27473 |
| SMILES |
COC(C#N)CF
|
| InChIKey |
AZPVGZYQJIWLJN-UHFFFAOYSA-N
|
| MW [Da] |
103.1
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
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
|
MM116094
Similarity: 0.7206
Similarity to MM116094
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38591
Similarity: 0.7101
Similarity to MM38591
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
