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DocumentationIdentifier: MM284368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284368 |
| SMILES |
CC=CC=CC(C)=CC=O
|
| InChIKey |
YXYKZFROJWBWHB-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159260
Similarity: 0.9118
Similarity to MM159260
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367381
Similarity: 0.8857
Similarity to MM367381
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9398 |
| Dice metric | 0.9394 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154430
Similarity: 0.7429
Similarity to MM154430
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8525 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
