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DocumentationIdentifier: MM244717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244717 |
| SMILES |
CC(CO)OC(C)C(C)O
|
| InChIKey |
GBCBUDOYEJMSSO-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133515
Similarity: 0.8718
Similarity to MM133515
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141595
Similarity: 0.7692
Similarity to MM141595
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79650
Similarity: 0.7442
Similarity to MM79650
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8533 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
