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DocumentationIdentifier: MM313702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313702 |
| SMILES |
CC(=O)C(C=O)(CO)CO
|
| InChIKey |
ICEMLNHNIOSSJQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313801
Similarity: 0.7946
Similarity to MM313801
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8856 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313641
Similarity: 0.7075
Similarity to MM313641
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8287 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313700
Similarity: 0.7008
Similarity to MM313700
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8241 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
