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DocumentationIdentifier: MM107976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107976 |
| SMILES |
C=CC=C(C)C=CF
|
| InChIKey |
DSONHYWGPWKFFU-UHFFFAOYSA-N
|
| MW [Da] |
112.15
Automatically obtained from RDkit software. |
| LogP |
2.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM114881
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| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9167 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
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| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
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MM176005
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Similarity to MM176005
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
