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DocumentationIdentifier: MM281803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281803 |
| SMILES |
C=COC=CC(=O)CCC
|
| InChIKey |
DLSQBKUOFNHWMJ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157925
Similarity: 0.8736
Similarity to MM157925
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169906
Similarity: 0.8161
Similarity to MM169906
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365111
Similarity: 0.7634
Similarity to MM365111
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8659 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
