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DocumentationIdentifier: MM385804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385804 |
| SMILES |
CNC(CCCO)COC
|
| InChIKey |
HQHUNBHOEPZQFH-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94482
Similarity: 0.7455
Similarity to MM94482
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8542 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90407
Similarity: 0.7167
Similarity to MM90407
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.835 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385965
Similarity: 0.6891
Similarity to MM385965
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8159 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
