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DocumentationIdentifier: MM341855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341855 |
| SMILES |
CCC(=NCC(C)O)NC
|
| InChIKey |
WWHIDFQMSGRYCN-UHFFFAOYSA-N
|
| MW [Da] |
144.22
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
MM199796
Similarity: 0.6975
Similarity to MM199796
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410718
Similarity: 0.6794
Similarity to MM410718
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8091 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410785
Similarity: 0.6667
Similarity to MM410785
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8013 |
| Dice metric | 0.8 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
