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DocumentationIdentifier: MM273256
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273256 |
| SMILES |
C#CCC(=CF)OC(=C)C
|
| InChIKey |
ONADCUTWTKIUNJ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376998
Similarity: 0.7209
Similarity to MM376998
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8378 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334827
Similarity: 0.7132
Similarity to MM334827
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8326 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333937
Similarity: 0.662
Similarity to MM333937
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.7966 |
| Dice metric | 0.7966 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
