Identifier: MM126686
2D Structure
3D Structure
Source:
General | |
Identifier | MM126686 |
SMILES |
C=CCC=COC=O
|
InChIKey |
PPQZWQFJHYLJNA-UHFFFAOYSA-N
|
MW [Da] |
112.13
Automatically obtained from RDkit software. |
LogP |
1.25
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM100916
Similarity: 0.8222
Similarity to MM100916
Tanimoto metric | 0.8222 |
---|---|
Cosine metric | 0.9068 |
Dice metric | 0.9024 |
MW: | 100.12 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.08 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM215337
Similarity: 0.8182
Similarity to MM215337
Tanimoto metric | 0.8182 |
---|---|
Cosine metric | 0.9045 |
Dice metric | 0.9 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.64 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM215339
Similarity: 0.7627
Similarity to MM215339
Tanimoto metric | 0.7627 |
---|---|
Cosine metric | 0.8733 |
Dice metric | 0.8654 |
MW: | 130.12 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.55 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+207 more