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DocumentationIdentifier: MM418827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418827 |
| SMILES |
CCC=COC(=CF)CC
|
| InChIKey |
VXOYQPNZRWUEGA-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
3.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200360
Similarity: 0.8936
Similarity to MM200360
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419685
Similarity: 0.7944
Similarity to MM419685
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8854 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418833
Similarity: 0.7778
Similarity to MM418833
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.875 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+581 more
