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DocumentationIdentifier: MM266127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266127 |
| SMILES |
C=C(C=O)CC(C)=CC=O
|
| InChIKey |
DNYODPRJAHCKMU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143162
Similarity: 0.8421
Similarity to MM143162
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334406
Similarity: 0.781
Similarity to MM334406
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.877 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334885
Similarity: 0.7736
Similarity to MM334885
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8723 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
