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DocumentationIdentifier: MM432608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432608 |
| SMILES |
N#CC(O)CC(O)C(=O)O
|
| InChIKey |
RMAJRERVAIWCAU-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442730
Similarity: 0.7109
Similarity to MM442730
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM417297
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| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.7867 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM445950
Similarity: 0.6313
Similarity to MM445950
| Tanimoto metric | 0.6313 |
|---|---|
| Cosine metric | 0.7741 |
| Dice metric | 0.7739 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
