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DocumentationIdentifier: MM456594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456594 |
| SMILES |
CC=CN=CNCCC=O
|
| InChIKey |
CKSTWNYLZZGTHW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50325
Similarity: 0.7294
Similarity to MM50325
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8435 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288684
Similarity: 0.7073
Similarity to MM288684
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8286 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288610
Similarity: 0.7
Similarity to MM288610
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8235 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
