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DocumentationIdentifier: MM292130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292130 |
| SMILES |
C=COC(=O)CCOCC
|
| InChIKey |
ZUVQWYGIXNSGIV-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156414
Similarity: 0.8675
Similarity to MM156414
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166376
Similarity: 0.759
Similarity to MM166376
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69610
Similarity: 0.7579
Similarity to MM69610
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8623 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
