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DocumentationIdentifier: MM69880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69880 |
| SMILES |
C#CC(C)C(=N)NCC=O
|
| InChIKey |
AJVRPVHKGAZCBA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173533
Similarity: 0.8214
Similarity to MM173533
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351517
Similarity: 0.7419
Similarity to MM351517
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8519 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351640
Similarity: 0.7302
Similarity to MM351640
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.844 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
