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DocumentationIdentifier: MM136173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136173 |
| SMILES |
C=CCC(C)C=C(F)F
|
| InChIKey |
HLJYKNXUBPNVOL-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
2.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146325
Similarity: 0.8413
Similarity to MM146325
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9138 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270005
Similarity: 0.831
Similarity to MM270005
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104760
Similarity: 0.8305
Similarity to MM104760
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 120.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
