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DocumentationIdentifier: MM62662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62662 |
| SMILES |
CNCC=C(C)NC(C)=O
|
| InChIKey |
LVNKKBYUEKQHFP-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136053
Similarity: 0.8704
Similarity to MM136053
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159563
Similarity: 0.6944
Similarity to MM159563
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55857
Similarity: 0.6934
Similarity to MM55857
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.819 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+575 more
