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DocumentationIdentifier: MM169826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169826 |
| SMILES |
CNCC=CC(=O)NC
|
| InChIKey |
SSAOOCFCVBMXIA-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114252
Similarity: 0.9048
Similarity to MM114252
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289531
Similarity: 0.8714
Similarity to MM289531
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9313 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289621
Similarity: 0.863
Similarity to MM289621
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
