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DocumentationIdentifier: MM165633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165633 |
| SMILES |
COCCNC(C)CO
|
| InChIKey |
KMHOXVWGEDOQOB-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402242
Similarity: 0.875
Similarity to MM402242
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363090
Similarity: 0.875
Similarity to MM363090
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57980
Similarity: 0.8438
Similarity to MM57980
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9164 |
| Dice metric | 0.9153 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
