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DocumentationIdentifier: MM59585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59585 |
| SMILES |
CCN=CNCC(=O)OC
|
| InChIKey |
VQEVOFFPQFFLLZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62857
Similarity: 0.7411
Similarity to MM62857
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8513 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63634
Similarity: 0.6694
Similarity to MM63634
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8061 |
| Dice metric | 0.8019 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142323
Similarity: 0.5714
Similarity to MM142323
| Tanimoto metric | 0.5714 |
|---|---|
| Cosine metric | 0.7273 |
| Dice metric | 0.7273 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+7 more
