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DocumentationIdentifier: MM355603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355603 |
| SMILES |
C=COCC(O)CNC=O
|
| InChIKey |
ASKSMBUUFARMPB-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155765
Similarity: 0.8081
Similarity to MM155765
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49313
Similarity: 0.6991
Similarity to MM49313
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8229 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355470
Similarity: 0.6991
Similarity to MM355470
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8229 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
