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DocumentationIdentifier: MM273789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273789 |
| SMILES |
C=C(F)CC(C#N)=CCO
|
| InChIKey |
DWRRUNJTQZDGDR-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150519
Similarity: 0.7786
Similarity to MM150519
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273839
Similarity: 0.6867
Similarity to MM273839
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8147 |
| Dice metric | 0.8142 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334909
Similarity: 0.6603
Similarity to MM334909
| Tanimoto metric | 0.6603 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7954 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
