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DocumentationIdentifier: MM300575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300575 |
| SMILES |
CCN(C=O)CC(=O)O
|
| InChIKey |
WQDPAQKQYXNXDG-UHFFFAOYSA-N
|
| MW [Da] |
131.13
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 |
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MM316097
Similarity: 0.9063
Similarity to MM316097
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313895
Similarity: 0.7586
Similarity to MM313895
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM67996
Similarity: 0.7565
Similarity to MM67996
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
