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DocumentationIdentifier: MM281468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281468 |
| SMILES |
C=COC=CC(F)CCN
|
| InChIKey |
RFHXBBMDJRMCNH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.35
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 | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM83572
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| Tanimoto metric | 0.7453 |
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| Cosine metric | 0.8544 |
| Dice metric | 0.8541 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.36 |
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| AI: | 0
Total active interactions
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MM281469
Similarity: 0.6762
Similarity to MM281469
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.8068 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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