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DocumentationIdentifier: MM425936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425936 |
| SMILES |
CC(C#N)CCC1CN1C
|
| InChIKey |
KOMYPJCTIXMLKU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195419
Similarity: 0.7851
Similarity to MM195419
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439428
Similarity: 0.6369
Similarity to MM439428
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7838 |
| Dice metric | 0.7782 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM184664
Similarity: 0.62
Similarity to MM184664
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7654 |
| Dice metric | 0.7654 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
