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DocumentationIdentifier: MM175703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175703 |
| SMILES |
CC=C(C)C(C)=COC
|
| InChIKey |
RTNSSDRUYXYSPN-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.5
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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MM361564
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| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7288 |
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| Cosine metric | 0.8537 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108889
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| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
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| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
