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DocumentationIdentifier: MM80726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80726 |
| SMILES |
CC=C(C=O)OC(=O)CO
|
| InChIKey |
DPCXGLWFHRVKMK-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142769
Similarity: 0.7259
Similarity to MM142769
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8412 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67511
Similarity: 0.6442
Similarity to MM67511
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7836 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65193
Similarity: 0.6405
Similarity to MM65193
| Tanimoto metric | 0.6405 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7809 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
