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DocumentationIdentifier: MM95427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95427 |
| SMILES |
CC=C(CCO)C(O)C=O
|
| InChIKey |
MSZNIFPFOBCOBJ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM381083
Similarity: 0.7197
Similarity to MM381083
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.837 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381290
Similarity: 0.7039
Similarity to MM381290
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8263 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380923
Similarity: 0.6687
Similarity to MM380923
| Tanimoto metric | 0.6687 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.8015 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
