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DocumentationIdentifier: MM26777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26777 |
| SMILES |
C=CCC(C)=CF
|
| InChIKey |
HVRQVGGVZBOTMZ-UHFFFAOYSA-N
|
| MW [Da] |
100.14
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113915
Similarity: 0.8261
Similarity to MM113915
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97482
Similarity: 0.7619
Similarity to MM97482
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8649 |
| MW: | 100.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116441
Similarity: 0.76
Similarity to MM116441
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+546 more
