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DocumentationIdentifier: MM172573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172573 |
| SMILES |
C=C(CF)C(C)OC=O
|
| InChIKey |
XEXZDYCABBSNCW-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.07
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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MM414856
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| Tanimoto metric | 0.7211 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8379 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6887 |
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| Cosine metric | 0.8299 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378940
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Similarity to MM378940
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8154 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+206 more
