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DocumentationIdentifier: MM328279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328279 |
| SMILES |
CCC(C)N1CC1(C)C#N
|
| InChIKey |
CGRKXYQTULWCKX-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
MM177137
Similarity: 0.815
Similarity to MM177137
| Tanimoto metric | 0.815 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373287
Similarity: 0.8034
Similarity to MM373287
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.891 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271646
Similarity: 0.8
Similarity to MM271646
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.8889 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
