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DocumentationIdentifier: MM173306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173306 |
| SMILES |
C=CN(C)C(=N)CCO
|
| InChIKey |
HUIXISTUBQQQFN-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351232
Similarity: 0.7313
Similarity to MM351232
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8448 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107366
Similarity: 0.7041
Similarity to MM107366
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8263 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108377
Similarity: 0.6633
Similarity to MM108377
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
