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DocumentationIdentifier: MM274711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274711 |
| SMILES |
C=CCC(C=C)=CC(=C)F
|
| InChIKey |
WFHMFUIGAOQZCR-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151039
Similarity: 0.8286
Similarity to MM151039
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274822
Similarity: 0.696
Similarity to MM274822
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8208 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274713
Similarity: 0.6642
Similarity to MM274713
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.7982 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
