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DocumentationIdentifier: MM397633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397633 |
| SMILES |
CC=COC(CO)=C(C)C
|
| InChIKey |
KJMFXSDGJYIEAZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180859
Similarity: 0.8687
Similarity to MM180859
| Tanimoto metric | 0.8687 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9297 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200364
Similarity: 0.7576
Similarity to MM200364
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276274
Similarity: 0.7177
Similarity to MM276274
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8357 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+564 more
