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DocumentationIdentifier: MM466897
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM466897 |
| SMILES |
CCC(=O)NC(C=O)C=O
|
| InChIKey |
JDXUGULBXJPULS-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142277
Similarity: 0.9213
Similarity to MM142277
| Tanimoto metric | 0.9213 |
|---|---|
| Cosine metric | 0.9599 |
| Dice metric | 0.9591 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262853
Similarity: 0.83
Similarity to MM262853
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.9071 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62250
Similarity: 0.7593
Similarity to MM62250
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8632 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
