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DocumentationIdentifier: MM208681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208681 |
| SMILES |
CC(C)(CCO)CC(=O)O
|
| InChIKey |
DWTUAMZRBMSLJQ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130728
Similarity: 0.878
Similarity to MM130728
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242341
Similarity: 0.8636
Similarity to MM242341
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9268 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229230
Similarity: 0.809
Similarity to MM229230
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8944 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
