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DocumentationIdentifier: MM378161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378161 |
| SMILES |
C=CCN(C=O)C=CCF
|
| InChIKey |
NTNPKYIWZCKZBQ-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200656
Similarity: 0.7843
Similarity to MM200656
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199638
Similarity: 0.6759
Similarity to MM199638
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8066 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378267
Similarity: 0.6612
Similarity to MM378267
| Tanimoto metric | 0.6612 |
|---|---|
| Cosine metric | 0.7961 |
| Dice metric | 0.796 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
