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DocumentationIdentifier: MM251753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251753 |
| SMILES |
CC#CC(=N)NCC(N)=O
|
| InChIKey |
YVKYXSAQROPVFL-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50752
Similarity: 0.7193
Similarity to MM50752
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157545
Similarity: 0.6842
Similarity to MM157545
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50000
Similarity: 0.6385
Similarity to MM50000
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.7813 |
| Dice metric | 0.7793 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
