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DocumentationIdentifier: MM78063
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78063 |
| SMILES |
N#CCC(C#N)(C=O)CF
|
| InChIKey |
USPDVDOEMLMNLY-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320231
Similarity: 0.6447
Similarity to MM320231
| Tanimoto metric | 0.6447 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.784 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42244
Similarity: 0.6167
Similarity to MM42244
| Tanimoto metric | 0.6167 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7629 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312778
Similarity: 0.6065
Similarity to MM312778
| Tanimoto metric | 0.6065 |
|---|---|
| Cosine metric | 0.7555 |
| Dice metric | 0.755 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
