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DocumentationIdentifier: MM329447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329447 |
| SMILES |
C=CC(CN)OC(=O)CN
|
| InChIKey |
JENNPNUGMHKAKK-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329783
Similarity: 0.7852
Similarity to MM329783
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8797 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142080
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| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8079 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272778
Similarity: 0.6757
Similarity to MM272778
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8065 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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