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DocumentationIdentifier: MM368503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368503 |
| SMILES |
CC(C=O)COC=CC=O
|
| InChIKey |
SUELRXSKYTZXBL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167281
Similarity: 0.8904
Similarity to MM167281
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368499
Similarity: 0.7927
Similarity to MM368499
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8844 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91590
Similarity: 0.7831
Similarity to MM91590
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8784 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
