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DocumentationIdentifier: MM47399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47399 |
| SMILES |
C#CC(NC)C(O)C(C)C
|
| InChIKey |
SGKVJKQTRMJQNT-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197047
Similarity: 0.7929
Similarity to MM197047
| Tanimoto metric | 0.7929 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8845 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160071
Similarity: 0.7
Similarity to MM160071
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46352
Similarity: 0.6938
Similarity to MM46352
| Tanimoto metric | 0.6938 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8192 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
