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DocumentationIdentifier: MM327561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327561 |
| SMILES |
C#CC(CC)CC(F)C#N
|
| InChIKey |
IWRUARFRRLPPBY-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.9
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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MM141887
Similarity: 0.7757
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| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261720
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Similarity to MM261720
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.839 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM141627
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Similarity to MM141627
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8316 |
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| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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