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DocumentationIdentifier: MM28511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28511 |
| SMILES |
CC(F)(CO)CC#N
|
| InChIKey |
PHPVGBKYLHACJN-UHFFFAOYSA-N
|
| MW [Da] |
117.12
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42172
Similarity: 0.7692
Similarity to MM42172
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61404
Similarity: 0.7216
Similarity to MM61404
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42260
Similarity: 0.6604
Similarity to MM42260
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7955 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
