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DocumentationIdentifier: MM253377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253377 |
| SMILES |
CC(F)=COC(=O)C=CN
|
| InChIKey |
HLMCIGHQGMGBSL-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146479
Similarity: 0.807
Similarity to MM146479
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157450
Similarity: 0.7105
Similarity to MM157450
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253376
Similarity: 0.7077
Similarity to MM253376
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8288 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
