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DocumentationIdentifier: MM57560
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57560 |
| SMILES |
C=C(C(O)C=O)C(C)(C)O
|
| InChIKey |
DUUOAWJXMMHIEB-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160862
Similarity: 0.7034
Similarity to MM160862
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8259 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132123
Similarity: 0.6828
Similarity to MM132123
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8115 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351504
Similarity: 0.645
Similarity to MM351504
| Tanimoto metric | 0.645 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7842 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
