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DocumentationIdentifier: MM66093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66093 |
| SMILES |
C=CCC(C#CCN)NC
|
| InChIKey |
WBGJYCGTBQANKD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178357
Similarity: 0.8462
Similarity to MM178357
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379698
Similarity: 0.7826
Similarity to MM379698
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.878 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66046
Similarity: 0.7523
Similarity to MM66046
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8586 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
