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DocumentationIdentifier: MM251381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251381 |
| SMILES |
C#CCC(=O)NCC(N)=O
|
| InChIKey |
LSBLLQUPUUWSHV-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144950
Similarity: 0.7905
Similarity to MM144950
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156646
Similarity: 0.7429
Similarity to MM156646
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318845
Similarity: 0.6885
Similarity to MM318845
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8155 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
