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DocumentationIdentifier: MM84879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84879 |
| SMILES |
CC=C(CCN)COC=O
|
| InChIKey |
PXYYZCREGYAJEQ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199933
Similarity: 0.7636
Similarity to MM199933
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390242
Similarity: 0.6462
Similarity to MM390242
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.785 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390246
Similarity: 0.637
Similarity to MM390246
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7783 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
