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DocumentationIdentifier: MM375463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375463 |
| SMILES |
CC=CC=CCC(F)=CC
|
| InChIKey |
QZTCTYVPNHKVGU-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168978
Similarity: 0.9538
Similarity to MM168978
| Tanimoto metric | 0.9538 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9764 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159097
Similarity: 0.8169
Similarity to MM159097
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8992 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113916
Similarity: 0.7692
Similarity to MM113916
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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