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DocumentationIdentifier: MM401699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM401699 |
| SMILES |
C=CC(OC)=C(CO)CO
|
| InChIKey |
HBTUNVQOHPUDJB-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198342
Similarity: 0.8839
Similarity to MM198342
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9384 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422832
Similarity: 0.7279
Similarity to MM422832
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8426 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54051
Similarity: 0.7232
Similarity to MM54051
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
