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DocumentationIdentifier: MM282144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282144 |
| SMILES |
COCC(=O)C=CC=CF
|
| InChIKey |
BHAAPRZSAPHLQJ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49670
Similarity: 0.8125
Similarity to MM49670
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260722
Similarity: 0.7222
Similarity to MM260722
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8387 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260721
Similarity: 0.6555
Similarity to MM260721
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7921 |
| Dice metric | 0.7919 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
