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DocumentationIdentifier: MM250652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250652 |
| SMILES |
CNCC(C)CNC(C)=N
|
| InChIKey |
ZKLGDRUNRRBXAO-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM340473
Similarity: 0.8642
Similarity to MM340473
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9272 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317275
Similarity: 0.6863
Similarity to MM317275
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.814 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317078
Similarity: 0.6863
Similarity to MM317078
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.814 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
