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DocumentationIdentifier: MM356430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356430 |
| SMILES |
C=C(C=O)C(C)C=CC=O
|
| InChIKey |
GTCKXRORHNWVCU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174279
Similarity: 0.8673
Similarity to MM174279
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379941
Similarity: 0.789
Similarity to MM379941
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8821 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356358
Similarity: 0.7589
Similarity to MM356358
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8629 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
