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DocumentationIdentifier: MM115165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115165 |
| SMILES |
CC1(CN)NC1CN
|
| InChIKey |
NPJVDCDIWDKKQQ-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149633
Similarity: 0.8629
Similarity to MM149633
| Tanimoto metric | 0.8629 |
|---|---|
| Cosine metric | 0.9289 |
| Dice metric | 0.9264 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66332
Similarity: 0.7757
Similarity to MM66332
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 100.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM176799
Similarity: 0.7754
Similarity to MM176799
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8735 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
