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DocumentationIdentifier: MM40849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40849 |
| SMILES |
C=C(OC(C)=O)C(C)O
|
| InChIKey |
XDMZYSXEDOGNSS-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246373
Similarity: 0.8042
Similarity to MM246373
| Tanimoto metric | 0.8042 |
|---|---|
| Cosine metric | 0.8968 |
| Dice metric | 0.8915 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246522
Similarity: 0.7718
Similarity to MM246522
| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62387
Similarity: 0.7516
Similarity to MM62387
| Tanimoto metric | 0.7516 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8582 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
