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DocumentationIdentifier: MM246110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246110 |
| SMILES |
CC(O)C(=O)CC(F)C#N
|
| InChIKey |
HEVBQTHSSAWXKZ-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40809
Similarity: 0.7273
Similarity to MM40809
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262670
Similarity: 0.6519
Similarity to MM262670
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7893 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142230
Similarity: 0.6294
Similarity to MM142230
| Tanimoto metric | 0.6294 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7725 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
