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DocumentationIdentifier: MM412220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412220 |
| SMILES |
C#CC(CC)N(C)C=NC
|
| InChIKey |
ASBLSCXBZIBUTI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174104
Similarity: 0.6975
Similarity to MM174104
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377243
Similarity: 0.6738
Similarity to MM377243
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.8051 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377187
Similarity: 0.6643
Similarity to MM377187
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7983 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
