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DocumentationIdentifier: MM386330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386330 |
| SMILES |
C=CCC(C=C)=COC=C
|
| InChIKey |
FVXFYOCEUWPUIG-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.79
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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MM201768
Similarity: 0.7778
Similarity to MM201768
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7596 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM360953
Similarity: 0.7143
Similarity to MM360953
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8333 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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