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DocumentationIdentifier: MM361718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361718 |
| SMILES |
CCC(O)C(C)CCCN
|
| InChIKey |
ROEYPLUQMLTQLU-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161918
Similarity: 0.8471
Similarity to MM161918
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292574
Similarity: 0.8316
Similarity to MM292574
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.908 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392191
Similarity: 0.7957
Similarity to MM392191
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8862 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
