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DocumentationIdentifier: MM91001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91001 |
| SMILES |
CCC(O)CCOCCO
|
| InChIKey |
DOJYNHQGTIGYAD-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165525
Similarity: 0.8636
Similarity to MM165525
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286916
Similarity: 0.7361
Similarity to MM286916
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.848 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291119
Similarity: 0.7308
Similarity to MM291119
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8444 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+616 more
