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DocumentationIdentifier: MM52380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52380 |
| SMILES |
CC#CC(CO)C(C)=O
|
| InChIKey |
UCBDHJAKMGAHHJ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM396236
Similarity: 0.7984
Similarity to MM396236
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95272
Similarity: 0.7857
Similarity to MM95272
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307408
Similarity: 0.6689
Similarity to MM307408
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8016 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
