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DocumentationIdentifier: MM137545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137545 |
| SMILES |
CC(O)(CO)C(O)C=O
|
| InChIKey |
HTPZSALIZDTBIL-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319698
Similarity: 0.9196
Similarity to MM319698
| Tanimoto metric | 0.9196 |
|---|---|
| Cosine metric | 0.959 |
| Dice metric | 0.9581 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137627
Similarity: 0.7213
Similarity to MM137627
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8381 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234588
Similarity: 0.7153
Similarity to MM234588
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
