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DocumentationIdentifier: MM396853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396853 |
| SMILES |
C#CC(=NCC=C)N(C)C
|
| InChIKey |
CPZWPDVZYAPXBU-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180661
Similarity: 0.8
Similarity to MM180661
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163848
Similarity: 0.687
Similarity to MM163848
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70696
Similarity: 0.6866
Similarity to MM70696
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8142 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
