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DocumentationIdentifier: MM360376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360376 |
| SMILES |
CC(=COC=O)CCC=O
|
| InChIKey |
QOYZJELABOUKQZ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159510
Similarity: 0.8
Similarity to MM159510
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214995
Similarity: 0.6706
Similarity to MM214995
| Tanimoto metric | 0.6706 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8028 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02441
Similarity: 0.6491
Similarity to MM02441
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7872 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
