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DocumentationIdentifier: MM89947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89947 |
| SMILES |
C=CCOC(=CC=O)CO
|
| InChIKey |
UROMGNVVKKIGAP-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51754
Similarity: 0.8302
Similarity to MM51754
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200010
Similarity: 0.7453
Similarity to MM200010
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381655
Similarity: 0.7395
Similarity to MM381655
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8502 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
