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DocumentationIdentifier: MM250751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250751 |
| SMILES |
CC(N)=NCC(C)CC=O
|
| InChIKey |
CZYRSUOSSQDPQB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257933
Similarity: 0.7048
Similarity to MM257933
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8268 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320269
Similarity: 0.6466
Similarity to MM320269
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7853 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233930
Similarity: 0.633
Similarity to MM233930
| Tanimoto metric | 0.633 |
|---|---|
| Cosine metric | 0.7761 |
| Dice metric | 0.7753 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
