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DocumentationIdentifier: MM108959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108959 |
| SMILES |
OCCC(F)=C(F)F
|
| InChIKey |
PCYKQGRAPGQQCB-UHFFFAOYSA-N
|
| MW [Da] |
126.08
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98266
Similarity: 0.7231
Similarity to MM98266
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98679
Similarity: 0.7077
Similarity to MM98679
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 110.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113824
Similarity: 0.6154
Similarity to MM113824
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7619 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
