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DocumentationIdentifier: MM416055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416055 |
| SMILES |
C=C(CCF)C(=CF)CN
|
| InChIKey |
HZCVAKFJBLSKQB-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
1.71
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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MM381595
Similarity: 0.7655
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| Tanimoto metric | 0.7655 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8672 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.6822 |
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| Cosine metric | 0.8259 |
| Dice metric | 0.8111 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM173584
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| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
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| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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