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DocumentationIdentifier: MM426912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426912 |
| SMILES |
CCC(CC)N1CC1C#N
|
| InChIKey |
FRPLPLPOLGTDIC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210921
Similarity: 0.9323
Similarity to MM210921
| Tanimoto metric | 0.9323 |
|---|---|
| Cosine metric | 0.9656 |
| Dice metric | 0.965 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427428
Similarity: 0.8013
Similarity to MM427428
| Tanimoto metric | 0.8013 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8897 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345136
Similarity: 0.7799
Similarity to MM345136
| Tanimoto metric | 0.7799 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8763 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
