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DocumentationIdentifier: MM49992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49992 |
| SMILES |
CCCC(O)C(O)C#N
|
| InChIKey |
NNPRJFPZOJODIG-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84524
Similarity: 0.8636
Similarity to MM84524
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362408
Similarity: 0.8352
Similarity to MM362408
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111562
Similarity: 0.8026
Similarity to MM111562
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+618 more
