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DocumentationIdentifier: MM360954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360954 |
| SMILES |
C=CC(=C)C(C)=COC=O
|
| InChIKey |
GFAJIBYIWSAOHU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163934
Similarity: 0.7593
Similarity to MM163934
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386332
Similarity: 0.7288
Similarity to MM386332
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8431 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293412
Similarity: 0.6452
Similarity to MM293412
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7843 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
