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DocumentationIdentifier: MM329272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329272 |
| SMILES |
COC(C=O)CC(=O)CO
|
| InChIKey |
RNFCXQXVXAHXPD-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44499
Similarity: 0.7815
Similarity to MM44499
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142218
Similarity: 0.6975
Similarity to MM142218
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66908
Similarity: 0.6327
Similarity to MM66908
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.775 |
| Dice metric | 0.775 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
