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DocumentationIdentifier: MM227196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227196 |
| SMILES |
C#CC(C)(C)NC(=O)C=C
|
| InChIKey |
HAQOOIUBDCZRPW-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142498
Similarity: 0.7913
Similarity to MM142498
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40119
Similarity: 0.7565
Similarity to MM40119
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330835
Similarity: 0.7339
Similarity to MM330835
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8465 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
