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DocumentationIdentifier: MM145428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145428 |
| SMILES |
C=CCN(C)CC(O)C#N
|
| InChIKey |
HDQSQYXZGWWIGQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.01
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 | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261714
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| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8043 |
| Dice metric | 0.8039 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM47159
| Tanimoto metric | 0.626 |
|---|---|
| Cosine metric | 0.77 |
| Dice metric | 0.77 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
