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DocumentationIdentifier: MM58224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58224 |
| SMILES |
CC(C)CC(O)(CO)CO
|
| InChIKey |
AOBMWYSQVOIVAA-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130597
Similarity: 0.8333
Similarity to MM130597
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307691
Similarity: 0.7579
Similarity to MM307691
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8623 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228939
Similarity: 0.717
Similarity to MM228939
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8352 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
