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DocumentationIdentifier: MM298399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298399 |
| SMILES |
CC(=CC(C)C=O)C(N)=O
|
| InChIKey |
MYTXXCXORYFUBK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM327975
Similarity: 0.8053
Similarity to MM327975
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304685
Similarity: 0.7611
Similarity to MM304685
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333868
Similarity: 0.7398
Similarity to MM333868
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8505 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
