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DocumentationIdentifier: MM69473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69473 |
| SMILES |
C=C(COC)COCC=O
|
| InChIKey |
SQIKLBOAYIZFPO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166673
Similarity: 0.9178
Similarity to MM166673
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78612
Similarity: 0.6907
Similarity to MM78612
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8171 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36324
Similarity: 0.6712
Similarity to MM36324
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8033 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
