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DocumentationIdentifier: MM105867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105867 |
| SMILES |
C=C(C)CCC=CF
|
| InChIKey |
SYMMLVLCQZMOPG-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167928
Similarity: 0.8148
Similarity to MM167928
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167369
Similarity: 0.8
Similarity to MM167369
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113859
Similarity: 0.7692
Similarity to MM113859
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8696 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
