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DocumentationIdentifier: MM115926
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115926 |
| SMILES |
CNCC(CN)OC
|
| InChIKey |
PJOPBAPIWKSZDI-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM74790
Similarity: 0.9333
Similarity to MM74790
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76035
Similarity: 0.7857
Similarity to MM76035
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64522
Similarity: 0.7568
Similarity to MM64522
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
