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DocumentationIdentifier: MM357904
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357904 |
| SMILES |
C#CCNC(=O)C=CC=O
|
| InChIKey |
QYPSGSZEMYPETH-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM276499
Similarity: 0.7524
Similarity to MM276499
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8587 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113406
Similarity: 0.7
Similarity to MM113406
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290866
Similarity: 0.6731
Similarity to MM290866
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.8046 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
