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DocumentationIdentifier: MM214558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214558 |
| SMILES |
O=CC=COC=CC=O
|
| InChIKey |
RBAUDXPPHGLQEW-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126346
Similarity: 1
Similarity to MM126346
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28111
Similarity: 0.8947
Similarity to MM28111
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214556
Similarity: 0.7917
Similarity to MM214556
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
