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DocumentationIdentifier: MM460125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460125 |
| SMILES |
CCN1C(C)C1CCC#N
|
| InChIKey |
XGNVIPSENWNGPL-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
MM212548
Similarity: 0.8609
Similarity to MM212548
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9253 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM216635
Similarity: 0.7483
Similarity to MM216635
| Tanimoto metric | 0.7483 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8561 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440014
Similarity: 0.7197
Similarity to MM440014
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.837 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
