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DocumentationIdentifier: MM76808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76808 |
| SMILES |
CCC(C)(CO)C(=O)CO
|
| InChIKey |
VMKVZGZBTVQDAV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234781
Similarity: 0.7415
Similarity to MM234781
| Tanimoto metric | 0.7415 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8516 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42609
Similarity: 0.7311
Similarity to MM42609
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53351
Similarity: 0.7227
Similarity to MM53351
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
