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DocumentationIdentifier: MM44470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44470 |
| SMILES |
CCC(CF)NC(C)=O
|
| InChIKey |
YZZBOXSPDRGGPE-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328665
Similarity: 0.822
Similarity to MM328665
| Tanimoto metric | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272254
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| Tanimoto metric | 0.8017 |
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| Cosine metric | 0.8954 |
| Dice metric | 0.8899 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.82 |
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| AI: | 0
Total active interactions
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MM272253
Similarity: 0.7951
Similarity to MM272253
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
