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DocumentationIdentifier: MM66997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66997 |
| SMILES |
CC=CC(CO)NC(C)=O
|
| InChIKey |
WJNZCPIWJYNJEH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329729
Similarity: 0.6712
Similarity to MM329729
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305307
Similarity: 0.6694
Similarity to MM305307
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88908
Similarity: 0.6594
Similarity to MM88908
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7948 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
