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DocumentationIdentifier: MM177846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177846 |
| SMILES |
COCC(CO)OC=O
|
| InChIKey |
HBSWQSJEOHRYLA-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198704
Similarity: 0.8108
Similarity to MM198704
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8955 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386303
Similarity: 0.7952
Similarity to MM386303
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87594
Similarity: 0.7586
Similarity to MM87594
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
