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DocumentationIdentifier: MM388129
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388129 |
| SMILES |
CC(C)C(C#N)C(O)CO
|
| InChIKey |
XGJRORLXXUTZIW-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60389
Similarity: 0.7574
Similarity to MM60389
| Tanimoto metric | 0.7574 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8619 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180968
Similarity: 0.7257
Similarity to MM180968
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297489
Similarity: 0.6493
Similarity to MM297489
| Tanimoto metric | 0.6493 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7873 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
