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DocumentationIdentifier: MM50126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50126 |
| SMILES |
C=C(CO)C(C)OC=O
|
| InChIKey |
RBRXCTRBTSPCLF-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108284
Similarity: 0.7374
Similarity to MM108284
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378312
Similarity: 0.6828
Similarity to MM378312
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8115 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162501
Similarity: 0.6814
Similarity to MM162501
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8105 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
