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DocumentationIdentifier: MM227827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227827 |
| SMILES |
CCC(C)(C)CCN(C)C
|
| InChIKey |
NRJYLVNLWUDWPC-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144087
Similarity: 0.8182
Similarity to MM144087
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138109
Similarity: 0.8182
Similarity to MM138109
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339857
Similarity: 0.7714
Similarity to MM339857
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8728 |
| Dice metric | 0.871 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
