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DocumentationIdentifier: MM163046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163046 |
| SMILES |
C=C(C)C(=C)OC=CF
|
| InChIKey |
ATVQRXNHFIKUCZ-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
2.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108542
Similarity: 0.7419
Similarity to MM108542
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174936
Similarity: 0.6525
Similarity to MM174936
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7897 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113736
Similarity: 0.6344
Similarity to MM113736
| Tanimoto metric | 0.6344 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7763 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
