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DocumentationIdentifier: MM242344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242344 |
| SMILES |
C=C(OCC)C(C)(C)C=O
|
| InChIKey |
QZXFMVOHPZJQSM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
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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MM137910
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| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173279
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| Tanimoto metric | 0.7965 |
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| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242387
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Similarity to MM242387
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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