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DocumentationIdentifier: MM35073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35073 |
| SMILES |
C#CC(C)(C)C(=O)CNC
|
| InChIKey |
VWMCMEMSFQNVKB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34417
Similarity: 0.7966
Similarity to MM34417
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26805
Similarity: 0.7231
Similarity to MM26805
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8393 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40047
Similarity: 0.7068
Similarity to MM40047
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8282 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
