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DocumentationIdentifier: MM455079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455079 |
| SMILES |
CNC(CN)CCC1CN1
|
| InChIKey |
OPQDKYYKKJEYSO-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208944
Similarity: 0.802
Similarity to MM208944
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208948
Similarity: 0.7822
Similarity to MM208948
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM455077
Similarity: 0.6807
Similarity to MM455077
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.81 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
