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DocumentationIdentifier: MM171738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171738 |
| SMILES |
CCC(O)C(C)CCO
|
| InChIKey |
SBEAASQNRARXJX-UHFFFAOYSA-N
|
| MW [Da] |
132.2
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348111
Similarity: 0.764
Similarity to MM348111
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171773
Similarity: 0.7632
Similarity to MM171773
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8658 |
| Dice metric | 0.8657 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141510
Similarity: 0.7368
Similarity to MM141510
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8485 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
