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DocumentationIdentifier: MM288152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288152 |
| SMILES |
C=COC=CCOC(C)=O
|
| InChIKey |
BQVKVHUYTFAQLL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM153298
Similarity: 0.8904
Similarity to MM153298
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369818
Similarity: 0.7558
Similarity to MM369818
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8609 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215009
Similarity: 0.726
Similarity to MM215009
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
