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DocumentationIdentifier: MM266792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266792 |
| SMILES |
CCNC(=O)C=C(F)C#N
|
| InChIKey |
NNHHOKRGHDRZFM-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43580
Similarity: 0.8462
Similarity to MM43580
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136222
Similarity: 0.7462
Similarity to MM136222
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247660
Similarity: 0.7285
Similarity to MM247660
| Tanimoto metric | 0.7285 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8429 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
