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DocumentationIdentifier: MM126752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126752 |
| SMILES |
O=COC=CC=CF
|
| InChIKey |
LGJUNXSGSCXRCU-UHFFFAOYSA-N
|
| MW [Da] |
116.09
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100933
Similarity: 0.72
Similarity to MM100933
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155055
Similarity: 0.7042
Similarity to MM155055
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8264 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153852
Similarity: 0.6944
Similarity to MM153852
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
