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DocumentationIdentifier: MM402553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402553 |
| SMILES |
C=CCOCC(CC)CN
|
| InChIKey |
RJZXEYQOLDMJBV-UHFFFAOYSA-N
|
| MW [Da] |
143.23
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
MM198555
Similarity: 0.8161
Similarity to MM198555
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301213
Similarity: 0.7843
Similarity to MM301213
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8791 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402122
Similarity: 0.7172
Similarity to MM402122
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8353 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
