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DocumentationIdentifier: MM270089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270089 |
| SMILES |
C=CC(=C)C(C)C=C(F)F
|
| InChIKey |
VMZRYHUTYCOHCA-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
3.15
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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| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM134101
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.98 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274046
Similarity: 0.6762
Similarity to MM274046
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8068 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
