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DocumentationIdentifier: MM386535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386535 |
| SMILES |
C#CC(=COC=O)CCC
|
| InChIKey |
WJXPMZCSTCZZTC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201837
Similarity: 0.8137
Similarity to MM201837
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386533
Similarity: 0.7155
Similarity to MM386533
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8342 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386678
Similarity: 0.686
Similarity to MM386678
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8137 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
