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DocumentationIdentifier: MM361879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361879 |
| SMILES |
COC(C)C(N)CCCO
|
| InChIKey |
VITLVAVXCWPQBT-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171867
Similarity: 0.8571
Similarity to MM171867
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361877
Similarity: 0.7377
Similarity to MM361877
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8491 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362105
Similarity: 0.7109
Similarity to MM362105
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8311 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
