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DocumentationIdentifier: MM66356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66356 |
| SMILES |
CC(O)CC(=O)C(O)C#N
|
| InChIKey |
IBNIOYKWIAHYMJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351107
Similarity: 0.7734
Similarity to MM351107
| Tanimoto metric | 0.7734 |
|---|---|
| Cosine metric | 0.8747 |
| Dice metric | 0.8722 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173244
Similarity: 0.7705
Similarity to MM173244
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350769
Similarity: 0.6739
Similarity to MM350769
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8065 |
| Dice metric | 0.8052 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
