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DocumentationIdentifier: MM112662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112662 |
| SMILES |
N=CNCC(O)CO
|
| InChIKey |
ADKLJBWTOXNCIG-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155764
Similarity: 0.75
Similarity to MM155764
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97324
Similarity: 0.7333
Similarity to MM97324
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141719
Similarity: 0.7059
Similarity to MM141719
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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