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DocumentationIdentifier: MM92893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92893 |
| SMILES |
N=CNCC(F)(F)C=O
|
| InChIKey |
MCACTWTUHUJLGJ-UHFFFAOYSA-N
|
| MW [Da] |
136.1
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226487
Similarity: 0.7627
Similarity to MM226487
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96134
Similarity: 0.6889
Similarity to MM96134
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167274
Similarity: 0.6095
Similarity to MM167274
| Tanimoto metric | 0.6095 |
|---|---|
| Cosine metric | 0.759 |
| Dice metric | 0.7574 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
