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DocumentationIdentifier: MM305792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305792 |
| SMILES |
CC=CC(N=CN)C(C)=O
|
| InChIKey |
YOYSZSYBFLJMQM-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48966
Similarity: 0.5633
Similarity to MM48966
| Tanimoto metric | 0.5633 |
|---|---|
| Cosine metric | 0.7264 |
| Dice metric | 0.7206 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272815
Similarity: 0.5056
Similarity to MM272815
| Tanimoto metric | 0.5056 |
|---|---|
| Cosine metric | 0.6721 |
| Dice metric | 0.6716 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47778
Similarity: 0.494
Similarity to MM47778
| Tanimoto metric | 0.494 |
|---|---|
| Cosine metric | 0.6652 |
| Dice metric | 0.6614 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+2 more
