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DocumentationIdentifier: MM267522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267522 |
| SMILES |
C=CC(O)C=C(C)OC=O
|
| InChIKey |
APDKZKAGTJKOOB-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136421
Similarity: 0.8087
Similarity to MM136421
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159616
Similarity: 0.6783
Similarity to MM159616
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8083 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221434
Similarity: 0.6667
Similarity to MM221434
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
