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DocumentationIdentifier: MM385753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385753 |
| SMILES |
CCC(=CCC=O)CC=O
|
| InChIKey |
BDORTMSLCBJYBG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178935
Similarity: 0.9412
Similarity to MM178935
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304338
Similarity: 0.8889
Similarity to MM304338
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9412 |
| Dice metric | 0.9412 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385751
Similarity: 0.8101
Similarity to MM385751
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8951 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
