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DocumentationIdentifier: MM216559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216559 |
| SMILES |
CCN1CC1CCNC
|
| InChIKey |
RXIUSWKGYMQTTR-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127616
Similarity: 0.8654
Similarity to MM127616
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195362
Similarity: 0.8396
Similarity to MM195362
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9128 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419103
Similarity: 0.8241
Similarity to MM419103
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9036 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
