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DocumentationIdentifier: MM60627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60627 |
| SMILES |
CC(F)(C#N)CCCC#N
|
| InChIKey |
OSVRBHWOVMSALI-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.93
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 | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239612
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.82 |
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Total active interactions
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MM239615
Similarity: 0.8247
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| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.904 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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