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DocumentationIdentifier: MM404136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404136 |
| SMILES |
C=CN(C=O)CCCCC
|
| InChIKey |
BOBKCLLUECIQLB-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199198
Similarity: 0.8667
Similarity to MM199198
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404138
Similarity: 0.8061
Similarity to MM404138
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8927 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455371
Similarity: 0.8036
Similarity to MM455371
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
