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DocumentationIdentifier: MM337328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337328 |
| SMILES |
CCC(=CC(=O)O)C(N)=O
|
| InChIKey |
LMYRDJXNORORJZ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM277408
Similarity: 0.7115
Similarity to MM277408
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394031
Similarity: 0.7051
Similarity to MM394031
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8271 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304703
Similarity: 0.6603
Similarity to MM304703
| Tanimoto metric | 0.6603 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7954 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
