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DocumentationIdentifier: MM376548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376548 |
| SMILES |
C=CC(OC=O)C(O)CO
|
| InChIKey |
YNNUNGUPNRGEQV-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51284
Similarity: 0.6364
Similarity to MM51284
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376550
Similarity: 0.5882
Similarity to MM376550
| Tanimoto metric | 0.5882 |
|---|---|
| Cosine metric | 0.7409 |
| Dice metric | 0.7407 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406618
Similarity: 0.5878
Similarity to MM406618
| Tanimoto metric | 0.5878 |
|---|---|
| Cosine metric | 0.7461 |
| Dice metric | 0.7404 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
