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DocumentationIdentifier: MM173223
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173223 |
| SMILES |
C=CC(C)C(=C)CCC
|
| InChIKey |
UDDMGVVYRMKNMD-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
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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MM350736
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| Tanimoto metric | 0.8831 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.8 |
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| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
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|---|---|---|---|---|---|
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Total active interactions
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MM408474
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| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
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| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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