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DocumentationIdentifier: MM80888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80888 |
| SMILES |
CCC(C)(N)COCCO
|
| InChIKey |
PZRJZOOXWXUUSD-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
MM138154
Similarity: 0.85
Similarity to MM138154
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239304
Similarity: 0.787
Similarity to MM239304
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8808 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307840
Similarity: 0.7456
Similarity to MM307840
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8543 |
| Dice metric | 0.8543 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
