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DocumentationIdentifier: MM351155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351155 |
| SMILES |
CCC(C)C(=O)C(O)C#N
|
| InChIKey |
ITJOJXRVEZOIIC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47503
Similarity: 0.7293
Similarity to MM47503
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351107
Similarity: 0.6414
Similarity to MM351107
| Tanimoto metric | 0.6414 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.7815 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350769
Similarity: 0.6351
Similarity to MM350769
| Tanimoto metric | 0.6351 |
|---|---|
| Cosine metric | 0.7807 |
| Dice metric | 0.7769 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
