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DocumentationIdentifier: MM155667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155667 |
| SMILES |
CCCC(N)CNCC
|
| InChIKey |
MXKSSOXEWRLPCN-UHFFFAOYSA-N
|
| MW [Da] |
130.24
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291129
Similarity: 0.8873
Similarity to MM291129
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355354
Similarity: 0.863
Similarity to MM355354
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291130
Similarity: 0.7875
Similarity to MM291130
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+615 more
