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DocumentationIdentifier: MM178703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178703 |
| SMILES |
C=CCC(C=CF)=CF
|
| InChIKey |
PSWNEYXQFOIJCK-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
2.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200383
Similarity: 0.8182
Similarity to MM200383
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9004 |
| Dice metric | 0.9 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274172
Similarity: 0.7742
Similarity to MM274172
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107634
Similarity: 0.7222
Similarity to MM107634
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
