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DocumentationIdentifier: MM227752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227752 |
| SMILES |
CCC(C)(O)CCC(C)O
|
| InChIKey |
NKWKZLRCUPYPSO-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224640
Similarity: 0.8434
Similarity to MM224640
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9166 |
| Dice metric | 0.915 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233718
Similarity: 0.8313
Similarity to MM233718
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9079 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138084
Similarity: 0.7778
Similarity to MM138084
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
