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DocumentationIdentifier: MM329787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329787 |
| SMILES |
C=CC(=O)OC(C=O)CO
|
| InChIKey |
LLTJUVNWXMHBBF-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150053
Similarity: 0.7541
Similarity to MM150053
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142161
Similarity: 0.7131
Similarity to MM142161
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8325 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329019
Similarity: 0.6718
Similarity to MM329019
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.8037 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
