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DocumentationIdentifier: MM157848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157848 |
| SMILES |
C=CC=CC(C)OC=O
|
| InChIKey |
BGGNFSFUZPYDBC-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107561
Similarity: 0.7867
Similarity to MM107561
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157801
Similarity: 0.686
Similarity to MM157801
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8138 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157883
Similarity: 0.6277
Similarity to MM157883
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7714 |
| Dice metric | 0.7712 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
