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DocumentationIdentifier: MM161977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161977 |
| SMILES |
CCOCC(C)C(C)C
|
| InChIKey |
UHXNILLEFOHZMK-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300999
Similarity: 0.8209
Similarity to MM300999
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165573
Similarity: 0.807
Similarity to MM165573
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8932 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112584
Similarity: 0.8
Similarity to MM112584
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 116.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+849 more
