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DocumentationIdentifier: MM244714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244714 |
| SMILES |
CC(CN)OC(C)C(C)N
|
| InChIKey |
XVYYIIRELCGJAI-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244713
Similarity: 0.913
Similarity to MM244713
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9545 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133514
Similarity: 0.8977
Similarity to MM133514
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162001
Similarity: 0.8864
Similarity to MM162001
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
