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DocumentationIdentifier: MM331439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331439 |
| SMILES |
CCC(=CF)CC(C)CF
|
| InChIKey |
GKRSHGYFZTYVPH-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
3.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142870
Similarity: 0.8247
Similarity to MM142870
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330870
Similarity: 0.7477
Similarity to MM330870
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8556 |
| MW: | 152.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141919
Similarity: 0.7423
Similarity to MM141919
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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