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DocumentationIdentifier: MM221854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221854 |
| SMILES |
CC(=O)CC(C)(C)OC=O
|
| InChIKey |
OHVAJSCRQQLMFX-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41031
Similarity: 0.735
Similarity to MM41031
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132412
Similarity: 0.6752
Similarity to MM132412
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8061 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262064
Similarity: 0.6214
Similarity to MM262064
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7665 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
