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DocumentationIdentifier: MM75933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75933 |
| SMILES |
CCCC(CO)NCCN
|
| InChIKey |
VCXMDEGZFJRGQG-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM385872
Similarity: 0.7549
Similarity to MM385872
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8603 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385874
Similarity: 0.7196
Similarity to MM385874
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.837 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Ethambutol
Similarity: 0.6916
Similarity to Ethambutol
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8177 |
| MW: | 204.31 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 3
Total active interactions
|
+530 more
