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DocumentationIdentifier: MM309495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309495 |
| SMILES |
C=CCNC(C)(C=O)C=O
|
| InChIKey |
MRDCSPCAKVYXID-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52257
Similarity: 0.7528
Similarity to MM52257
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.859 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39273
Similarity: 0.7073
Similarity to MM39273
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44714
Similarity: 0.66
Similarity to MM44714
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.7952 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
