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DocumentationIdentifier: MM168482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168482 |
| SMILES |
CCC=CCC(=O)OC
|
| InChIKey |
XEAIHUDTEINXFG-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373563
Similarity: 0.9605
Similarity to MM373563
| Tanimoto metric | 0.9605 |
|---|---|
| Cosine metric | 0.9801 |
| Dice metric | 0.9799 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373180
Similarity: 0.8902
Similarity to MM373180
| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113624
Similarity: 0.863
Similarity to MM113624
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
