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DocumentationIdentifier: MM144445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144445 |
| SMILES |
CC(=O)NCC(O)C#N
|
| InChIKey |
ALALFMYHFQFUKW-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317496
Similarity: 0.8288
Similarity to MM317496
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318015
Similarity: 0.7731
Similarity to MM318015
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317498
Similarity: 0.7667
Similarity to MM317498
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
