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DocumentationIdentifier: MM44793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44793 |
| SMILES |
CNC(C#N)C(C)(C)C=O
|
| InChIKey |
ZOWLOLPAQWHBSA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137635
Similarity: 0.6935
Similarity to MM137635
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.819 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51378
Similarity: 0.6735
Similarity to MM51378
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8049 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310122
Similarity: 0.5848
Similarity to MM310122
| Tanimoto metric | 0.5848 |
|---|---|
| Cosine metric | 0.7407 |
| Dice metric | 0.738 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
