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DocumentationIdentifier: MM196771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196771 |
| SMILES |
CCC(CN)C(C)CO
|
| InChIKey |
ULRABALUCQDIMW-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196772
Similarity: 0.8378
Similarity to MM196772
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9118 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79046
Similarity: 0.8056
Similarity to MM79046
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375599
Similarity: 0.75
Similarity to MM375599
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8571 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
