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DocumentationIdentifier: MM109086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM109086 |
| SMILES |
CC(=O)C(F)C(C)C
|
| InChIKey |
CZNZLFIBIUBTRS-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.57
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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MM129854
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160364
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| Tanimoto metric | 0.7412 |
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| Cosine metric | 0.8609 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.96 |
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|---|---|---|---|---|---|
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Total active interactions
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MM98490
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Similarity to MM98490
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.844 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
