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DocumentationIdentifier: MM422205
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM422205 |
| SMILES |
CC1(C#N)CN1CC1CC1
|
| InChIKey |
GWXWBXZDPJACNC-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372995
Similarity: 0.8814
Similarity to MM372995
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.9388 |
| Dice metric | 0.9369 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271646
Similarity: 0.8531
Similarity to MM271646
| Tanimoto metric | 0.8531 |
|---|---|
| Cosine metric | 0.9236 |
| Dice metric | 0.9207 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177137
Similarity: 0.7966
Similarity to MM177137
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
