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DocumentationIdentifier: MM253726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253726 |
| SMILES |
C=COC(C)=CC=C(C)C
|
| InChIKey |
OXHUOAAILVEYAO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
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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| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253709
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| Tanimoto metric | 0.7347 |
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| Cosine metric | 0.8471 |
| Dice metric | 0.8471 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.89 |
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MM285275
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Similarity to MM285275
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8402 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
