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DocumentationIdentifier: MM406282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406282 |
| SMILES |
CCC=COC(C=O)CO
|
| InChIKey |
BIXJQODKQLQFEY-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54506
Similarity: 0.8632
Similarity to MM54506
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406286
Similarity: 0.7736
Similarity to MM406286
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8723 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406574
Similarity: 0.7685
Similarity to MM406574
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8691 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
