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DocumentationIdentifier: MM350177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350177 |
| SMILES |
NCCNC(=O)C(O)CO
|
| InChIKey |
DDOSAVXKRQQOFE-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172954
Similarity: 0.8346
Similarity to MM172954
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162414
Similarity: 0.7638
Similarity to MM162414
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350179
Similarity: 0.7626
Similarity to MM350179
| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8653 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
