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DocumentationIdentifier: MM217509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217509 |
| SMILES |
CNCCC(C)C1CN1
|
| InChIKey |
BCFXJBHZXZBLDK-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM128720
Similarity: 0.8737
Similarity to MM128720
| Tanimoto metric | 0.8737 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9326 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193867
Similarity: 0.8077
Similarity to MM193867
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.8936 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM219756
Similarity: 0.7083
Similarity to MM219756
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8293 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
