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DocumentationIdentifier: MM269196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269196 |
| SMILES |
C=CC(C)C(=O)CC(F)F
|
| InChIKey |
DONXWKWHOZENGT-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM173240
Similarity: 0.8416
Similarity to MM173240
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7679 |
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| Cosine metric | 0.8689 |
| Dice metric | 0.8687 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242309
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Similarity to MM242309
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.8095 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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