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DocumentationIdentifier: MM348292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348292 |
| SMILES |
COC(C)C(N)C(C)CO
|
| InChIKey |
GKSQHKGOXSYZNT-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159985
Similarity: 0.7218
Similarity to MM159985
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297386
Similarity: 0.6736
Similarity to MM297386
| Tanimoto metric | 0.6736 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.805 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297440
Similarity: 0.6584
Similarity to MM297440
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.794 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
