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DocumentationIdentifier: MM60125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60125 |
| SMILES |
CC(C)NC(=O)C#CC=O
|
| InChIKey |
KJUSSMAMPUYXJK-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46944
Similarity: 0.8132
Similarity to MM46944
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84039
Similarity: 0.7327
Similarity to MM84039
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8457 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60118
Similarity: 0.7182
Similarity to MM60118
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.836 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
