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DocumentationIdentifier: MM178667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178667 |
| SMILES |
CC=CC(=CF)CCF
|
| InChIKey |
HZTDUVPLVJVQPG-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
2.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379103
Similarity: 0.7981
Similarity to MM379103
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379009
Similarity: 0.7981
Similarity to MM379009
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38062
Similarity: 0.7349
Similarity to MM38062
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8472 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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