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DocumentationIdentifier: MM40265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40265 |
| SMILES |
COCC(O)C(C)(C)O
|
| InChIKey |
IYZBBNMXHSSHER-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241845
Similarity: 0.7545
Similarity to MM241845
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132593
Similarity: 0.7282
Similarity to MM132593
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8427 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241844
Similarity: 0.6975
Similarity to MM241844
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
