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DocumentationIdentifier: MM444803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444803 |
| SMILES |
CCC(C#N)N1C(C)C1C
|
| InChIKey |
JWWQBTJANZIRLF-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
MM195108
Similarity: 0.8986
Similarity to MM195108
| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212151
Similarity: 0.8043
Similarity to MM212151
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425579
Similarity: 0.7799
Similarity to MM425579
| Tanimoto metric | 0.7799 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.8763 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
