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DocumentationIdentifier: MM160738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160738 |
| SMILES |
C#CC(=C)C(O)C(=C)F
|
| InChIKey |
ADFKCZRXHKEWEZ-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353473
Similarity: 0.7557
Similarity to MM353473
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8608 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35738
Similarity: 0.5639
Similarity to MM35738
| Tanimoto metric | 0.5639 |
|---|---|
| Cosine metric | 0.7509 |
| Dice metric | 0.7212 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160508
Similarity: 0.5482
Similarity to MM160508
| Tanimoto metric | 0.5482 |
|---|---|
| Cosine metric | 0.7086 |
| Dice metric | 0.7082 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
