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DocumentationIdentifier: MM137767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137767 |
| SMILES |
CC(C)(CO)C(=O)CO
|
| InChIKey |
VCLSUNMNDIKRMY-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58787
Similarity: 0.7321
Similarity to MM58787
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28688
Similarity: 0.7317
Similarity to MM28688
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76808
Similarity: 0.6891
Similarity to MM76808
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8159 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
