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DocumentationIdentifier: MM328628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328628 |
| SMILES |
CCC(CC)NC(=N)CO
|
| InChIKey |
XDWLWXPARVWDPL-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261938
Similarity: 0.7647
Similarity to MM261938
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8667 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226771
Similarity: 0.7355
Similarity to MM226771
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8476 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149925
Similarity: 0.7172
Similarity to MM149925
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
