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DocumentationIdentifier: MM159603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159603 |
| SMILES |
C=CCC(F)=COC=O
|
| InChIKey |
ANZCNVKUEPXMOL-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114737
Similarity: 0.8072
Similarity to MM114737
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153724
Similarity: 0.663
Similarity to MM153724
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7974 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159605
Similarity: 0.6505
Similarity to MM159605
| Tanimoto metric | 0.6505 |
|---|---|
| Cosine metric | 0.7885 |
| Dice metric | 0.7882 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
