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DocumentationIdentifier: MM163664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163664 |
| SMILES |
CCC#CC(=O)C(C)O
|
| InChIKey |
RZIQLALHGYVILJ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294186
Similarity: 0.9271
Similarity to MM294186
| Tanimoto metric | 0.9271 |
|---|---|
| Cosine metric | 0.9629 |
| Dice metric | 0.9622 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294184
Similarity: 0.9271
Similarity to MM294184
| Tanimoto metric | 0.9271 |
|---|---|
| Cosine metric | 0.9629 |
| Dice metric | 0.9622 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74049
Similarity: 0.8812
Similarity to MM74049
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
