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DocumentationIdentifier: MM144589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144589 |
| SMILES |
C=C(CF)CCC(C)C
|
| InChIKey |
XHYXIGYLBPHCCJ-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
2.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224795
Similarity: 0.8611
Similarity to MM224795
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316271
Similarity: 0.8052
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| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316251
Similarity: 0.7949
Similarity to MM316251
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+551 more
