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DocumentationIdentifier: MM445950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM445950 |
| SMILES |
N#CC(O)C(O)CC(=O)O
|
| InChIKey |
OFNRKFGZGVFPAN-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
MM416973
Similarity: 0.6617
Similarity to MM416973
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7964 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256097
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| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7951 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM432608
Similarity: 0.6313
Similarity to MM432608
| 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
|
+48 more
