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DocumentationIdentifier: MM87594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87594 |
| SMILES |
C=COCC(CO)OC=O
|
| InChIKey |
AEFYDULSMPTHFT-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177846
Similarity: 0.7586
Similarity to MM177846
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155973
Similarity: 0.6632
Similarity to MM155973
| Tanimoto metric | 0.6632 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.7975 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386303
Similarity: 0.6505
Similarity to MM386303
| Tanimoto metric | 0.6505 |
|---|---|
| Cosine metric | 0.7885 |
| Dice metric | 0.7882 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
