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DocumentationIdentifier: MM328635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328635 |
| SMILES |
CCC(=N)NC(CC)CF
|
| InChIKey |
PLAISKOFJRWZGO-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149927
Similarity: 0.812
Similarity to MM149927
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262456
Similarity: 0.7176
Similarity to MM262456
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8356 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142039
Similarity: 0.6581
Similarity to MM142039
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.7938 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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