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DocumentationIdentifier: MM155699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155699 |
| SMILES |
CNCC(C)NCCO
|
| InChIKey |
DANDCVYCRMXIPG-UHFFFAOYSA-N
|
| MW [Da] |
132.21
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
MM291196
Similarity: 0.8182
Similarity to MM291196
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291182
Similarity: 0.8082
Similarity to MM291182
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8939 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112601
Similarity: 0.7778
Similarity to MM112601
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
