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DocumentationIdentifier: MM34458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34458 |
| SMILES |
C=CCC(O)C(N)=O
|
| InChIKey |
KSVKSMSUGRASOK-UHFFFAOYSA-N
|
| MW [Da] |
115.13
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
MM98480
Similarity: 0.716
Similarity to MM98480
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52250
Similarity: 0.7043
Similarity to MM52250
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8265 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304122
Similarity: 0.6923
Similarity to MM304122
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
