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DocumentationIdentifier: MM326064
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326064 |
| SMILES |
CCN(CC)CC(N)CO
|
| InChIKey |
LKVQLJRHYBBPGM-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141605
Similarity: 0.9277
Similarity to MM141605
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261304
Similarity: 0.8105
Similarity to MM261304
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8953 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261305
Similarity: 0.7778
Similarity to MM261305
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.875 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
