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DocumentationIdentifier: MM325652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325652 |
| SMILES |
CCC(CC)CC(O)CO
|
| InChIKey |
ZMMXJSJKOWZQSL-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141504
Similarity: 0.9143
Similarity to MM141504
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261135
Similarity: 0.8312
Similarity to MM261135
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9078 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261134
Similarity: 0.8205
Similarity to MM261134
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9015 |
| Dice metric | 0.9014 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+679 more
