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DocumentationIdentifier: MM60626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60626 |
| SMILES |
CC(O)(C#N)CCCC#N
|
| InChIKey |
WWEDFDGKSONVPB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.95
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 | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8696 |
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| Cosine metric | 0.9302 |
| Dice metric | 0.9302 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM239608
Similarity: 0.8125
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| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8966 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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