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DocumentationIdentifier: MM111652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111652 |
| SMILES |
C=CC(O)C(F)C=C
|
| InChIKey |
HLVRLVPBYZAEFB-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174046
Similarity: 0.75
Similarity to MM174046
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174052
Similarity: 0.75
Similarity to MM174052
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174047
Similarity: 0.7282
Similarity to MM174047
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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