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DocumentationIdentifier: MM213004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213004 |
| SMILES |
CN(C)C(C=O)(C=O)CO
|
| InChIKey |
AUESZVHOTRIGAQ-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
MM212959
Similarity: 0.6769
Similarity to MM212959
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8074 |
| Dice metric | 0.8073 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44656
Similarity: 0.6273
Similarity to MM44656
| Tanimoto metric | 0.6273 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.7709 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80237
Similarity: 0.5671
Similarity to MM80237
| Tanimoto metric | 0.5671 |
|---|---|
| Cosine metric | 0.7314 |
| Dice metric | 0.7237 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
