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DocumentationIdentifier: MM414418
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414418 |
| SMILES |
C=CCOCC(C=C)=CC
|
| InChIKey |
JKIDENMBGXKAJQ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200088
Similarity: 0.9286
Similarity to MM200088
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413508
Similarity: 0.8478
Similarity to MM413508
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9176 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367099
Similarity: 0.814
Similarity to MM367099
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8974 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
