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DocumentationIdentifier: MM137522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137522 |
| SMILES |
COC(C)C(C)(C)OC
|
| InChIKey |
JZHIJURQSGWECR-UHFFFAOYSA-N
|
| MW [Da] |
132.2
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131012
Similarity: 0.8256
Similarity to MM131012
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9045 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28662
Similarity: 0.8101
Similarity to MM28662
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28350
Similarity: 0.7975
Similarity to MM28350
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
