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DocumentationIdentifier: MM142531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142531 |
| SMILES |
O=C(CO)CC(=O)CO
|
| InChIKey |
VMVGBPVRCDIKKS-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104538
Similarity: 0.931
Similarity to MM104538
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41139
Similarity: 0.6585
Similarity to MM41139
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7941 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350034
Similarity: 0.617
Similarity to MM350034
| Tanimoto metric | 0.617 |
|---|---|
| Cosine metric | 0.7855 |
| Dice metric | 0.7632 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
