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DocumentationIdentifier: MM304122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304122 |
| SMILES |
COC=CCC(O)C(N)=O
|
| InChIKey |
FRKSZRIIUZKCRV-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34458
Similarity: 0.6923
Similarity to MM34458
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73454
Similarity: 0.5811
Similarity to MM73454
| Tanimoto metric | 0.5811 |
|---|---|
| Cosine metric | 0.735 |
| Dice metric | 0.735 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304373
Similarity: 0.5658
Similarity to MM304373
| Tanimoto metric | 0.5658 |
|---|---|
| Cosine metric | 0.7228 |
| Dice metric | 0.7227 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
