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DocumentationIdentifier: MM422529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM422529 |
| SMILES |
CC1NC1(CN)CN1CC1
|
| InChIKey |
ZBKGQTVRNIDQFO-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM398028
Similarity: 0.7617
Similarity to MM398028
| Tanimoto metric | 0.7617 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8647 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256627
Similarity: 0.7533
Similarity to MM256627
| Tanimoto metric | 0.7533 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8593 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136713
Similarity: 0.6869
Similarity to MM136713
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
