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DocumentationIdentifier: MM224073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224073 |
| SMILES |
CC(C=O)=C(C)C(F)(F)F
|
| InChIKey |
VIDLDAXJJXCFHF-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
2.08
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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MM161734
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| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7551 |
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| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 138.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM129943
Similarity: 0.6837
Similarity to MM129943
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
