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DocumentationIdentifier: MM461758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM461758 |
| SMILES |
CN(CC=O)CC(=O)CO
|
| InChIKey |
VLKTWJLNJNUSOA-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47561
Similarity: 0.7097
Similarity to MM47561
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461075
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Similarity to MM461075
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM44383
Similarity: 0.6837
Similarity to MM44383
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8121 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
