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DocumentationIdentifier: MM339726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339726 |
| SMILES |
CCC(CCC(C)N)OC
|
| InChIKey |
ZPCPKWMLRZGHCN-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144037
Similarity: 0.8065
Similarity to MM144037
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198532
Similarity: 0.7312
Similarity to MM198532
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144004
Similarity: 0.7204
Similarity to MM144004
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
