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DocumentationIdentifier: MM316552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316552 |
| SMILES |
CCC(=N)NCC(F)CO
|
| InChIKey |
OAPCLCSILFQJIM-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144302
Similarity: 0.8257
Similarity to MM144302
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316554
Similarity: 0.687
Similarity to MM316554
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8145 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250968
Similarity: 0.6512
Similarity to MM250968
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7887 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
