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DocumentationIdentifier: MM317407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317407 |
| SMILES |
C=CC(O)CCC(=O)CC
|
| InChIKey |
IYBYNVVJZDSXBO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43729
Similarity: 0.828
Similarity to MM43729
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250947
Similarity: 0.7843
Similarity to MM250947
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8791 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43774
Similarity: 0.7097
Similarity to MM43774
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
