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DocumentationIdentifier: MM289846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289846 |
| SMILES |
NCCNCC#CC(N)=O
|
| InChIKey |
HGPDRIXEPFDUQR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154598
Similarity: 0.8841
Similarity to MM154598
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9402 |
| Dice metric | 0.9385 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45213
Similarity: 0.7625
Similarity to MM45213
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367862
Similarity: 0.7531
Similarity to MM367862
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8592 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
