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DocumentationIdentifier: MM316097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316097 |
| SMILES |
O=CN(CCO)CC(=O)O
|
| InChIKey |
MMUJYJOHSNKFBO-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-1.48
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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MM300575
Similarity: 0.9063
Similarity to MM300575
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM67996
Similarity: 0.7016
Similarity to MM67996
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.8246 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408780
Similarity: 0.6905
Similarity to MM408780
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8169 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
