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DocumentationIdentifier: MM167868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167868 |
| SMILES |
C=CCOCC(C)=CC
|
| InChIKey |
SGWCHSYACANXAR-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113830
Similarity: 0.8983
Similarity to MM113830
| Tanimoto metric | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152999
Similarity: 0.8525
Similarity to MM152999
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9204 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167770
Similarity: 0.8462
Similarity to MM167770
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9167 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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