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DocumentationIdentifier: MM281800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281800 |
| SMILES |
C=COC=CC(=C)CCC
|
| InChIKey |
OOSABOOFVGWKNH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157924
Similarity: 0.859
Similarity to MM157924
| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169902
Similarity: 0.8205
Similarity to MM169902
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281752
Similarity: 0.7582
Similarity to MM281752
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8625 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
