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DocumentationIdentifier: MM97552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97552 |
| SMILES |
CCN=CN(C)C
|
| InChIKey |
XXKGMXBJIMBFCS-UHFFFAOYSA-N
|
| MW [Da] |
100.17
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106230
Similarity: 0.7619
Similarity to MM106230
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103517
Similarity: 0.7273
Similarity to MM103517
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106229
Similarity: 0.7273
Similarity to MM106229
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
