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DocumentationIdentifier: MM264743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264743 |
| SMILES |
C=CC(=N)NC(C)C#CC
|
| InChIKey |
ZRSYZIAMAJPQTB-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142497
Similarity: 0.7913
Similarity to MM142497
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237705
Similarity: 0.6875
Similarity to MM237705
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8148 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371054
Similarity: 0.6748
Similarity to MM371054
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.8058 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
