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DocumentationIdentifier: MM224911
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224911 |
| SMILES |
C=C(C=O)CCC(C)(C)C
|
| InChIKey |
MLPBAHMINNUDNW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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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MM144713
Similarity: 0.875
Similarity to MM144713
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316982
Similarity: 0.7241
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| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.84 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM317935
Similarity: 0.7159
Similarity to MM317935
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8344 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
