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DocumentationIdentifier: MM233490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233490 |
| SMILES |
C#CC(=O)C(C)(C)CC=O
|
| InChIKey |
XPTJNXKJEACHIU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137870
Similarity: 0.7664
Similarity to MM137870
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227113
Similarity: 0.6504
Similarity to MM227113
| Tanimoto metric | 0.6504 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7882 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132723
Similarity: 0.6449
Similarity to MM132723
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.7841 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
