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DocumentationIdentifier: MM196978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196978 |
| SMILES |
CCC(C=O)C(C)C=O
|
| InChIKey |
DHSLAMPGEDECCA-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.05
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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MM400689
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| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8361 |
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| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111534
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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+414 more
