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DocumentationIdentifier: MM360864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360864 |
| SMILES |
CC(C=CC=O)=COC=O
|
| InChIKey |
KJUNMLQAKHQFGP-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159808
Similarity: 0.8022
Similarity to MM159808
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387390
Similarity: 0.6952
Similarity to MM387390
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8202 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253672
Similarity: 0.6609
Similarity to MM253672
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.7967 |
| Dice metric | 0.7958 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
