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DocumentationIdentifier: MM300580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300580 |
| SMILES |
CC(C)(C)NC(=O)C=CN
|
| InChIKey |
QOUCHYNAZPKTLC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293565
Similarity: 0.7935
Similarity to MM293565
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304104
Similarity: 0.6848
Similarity to MM304104
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8129 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264362
Similarity: 0.6583
Similarity to MM264362
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.794 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
