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DocumentationIdentifier: MM251905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251905 |
| SMILES |
C=C(C)CNC(C)=NCC
|
| InChIKey |
MYCGBQUCYJAFOX-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145333
Similarity: 0.8558
Similarity to MM145333
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320518
Similarity: 0.7236
Similarity to MM320518
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8396 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320694
Similarity: 0.6899
Similarity to MM320694
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8165 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
