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DocumentationIdentifier: MM297559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297559 |
| SMILES |
C=CC(C)(C)NC=O
|
| InChIKey |
MRHUQGBVYUTLPD-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299831
Similarity: 0.725
Similarity to MM299831
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298627
Similarity: 0.7241
Similarity to MM298627
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132483
Similarity: 0.6988
Similarity to MM132483
| Tanimoto metric | 0.6988 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8227 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
