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DocumentationIdentifier: MM140112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM140112 |
| SMILES |
CC(=O)C(F)(C#N)C=O
|
| InChIKey |
LMXNQJOQPSDGDV-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28745
Similarity: 0.7273
Similarity to MM28745
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140113
Similarity: 0.6423
Similarity to MM140113
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7822 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28744
Similarity: 0.6116
Similarity to MM28744
| Tanimoto metric | 0.6116 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.759 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
