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DocumentationIdentifier: MM57845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57845 |
| SMILES |
CCC(O)CC(C)(O)C#N
|
| InChIKey |
AWSAABRMICPFML-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229053
Similarity: 0.7923
Similarity to MM229053
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8841 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57802
Similarity: 0.7344
Similarity to MM57802
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8468 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226442
Similarity: 0.7154
Similarity to MM226442
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8341 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
