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DocumentationIdentifier: MM162937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162937 |
| SMILES |
CC=CNC(=O)C(C)O
|
| InChIKey |
AHKBUUDDNHZYOD-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304442
Similarity: 0.8879
Similarity to MM304442
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63739
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| Tanimoto metric | 0.8729 |
|---|---|
| Cosine metric | 0.9343 |
| Dice metric | 0.9321 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304593
Similarity: 0.8729
Similarity to MM304593
| Tanimoto metric | 0.8729 |
|---|---|
| Cosine metric | 0.9343 |
| Dice metric | 0.9321 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+668 more
