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DocumentationIdentifier: MM380923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380923 |
| SMILES |
CC=C(CC=O)C(O)CO
|
| InChIKey |
NZKAUDJAUWCBOW-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
MM197706
Similarity: 0.7206
Similarity to MM197706
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75910
Similarity: 0.7067
Similarity to MM75910
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8281 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306164
Similarity: 0.702
Similarity to MM306164
| Tanimoto metric | 0.702 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8249 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
