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DocumentationIdentifier: MM157420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157420 |
| SMILES |
O=C(C=CF)CC=CF
|
| InChIKey |
KJHDRTDOINQADJ-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34122
Similarity: 0.9048
Similarity to MM34122
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15805
Similarity: 0.873
Similarity to MM15805
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98224
Similarity: 0.7302
Similarity to MM98224
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 102.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
