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DocumentationIdentifier: MM404023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404023 |
| SMILES |
CCC(C#N)C1NC1C=O
|
| InChIKey |
XYGJWNDIZUTKHY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405165
Similarity: 0.7644
Similarity to MM405165
| Tanimoto metric | 0.7644 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8665 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195095
Similarity: 0.7548
Similarity to MM195095
| Tanimoto metric | 0.7548 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8603 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438962
Similarity: 0.7067
Similarity to MM438962
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8282 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
