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DocumentationIdentifier: MM224477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224477 |
| SMILES |
NCC(=CC(F)(F)F)CN
|
| InChIKey |
OHPIRFULEZQQHG-UHFFFAOYSA-N
|
| MW [Da] |
154.14
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130289
Similarity: 0.8919
Similarity to MM130289
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 139.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150834
Similarity: 0.8514
Similarity to MM150834
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72099
Similarity: 0.7432
Similarity to MM72099
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 121.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
