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DocumentationIdentifier: MM245475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245475 |
| SMILES |
CC(=N)N(C)CC(F)C=O
|
| InChIKey |
JLWQKSKEQOZZCH-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133661
Similarity: 0.7557
Similarity to MM133661
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245275
Similarity: 0.641
Similarity to MM245275
| Tanimoto metric | 0.641 |
|---|---|
| Cosine metric | 0.7815 |
| Dice metric | 0.7813 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245276
Similarity: 0.625
Similarity to MM245276
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7693 |
| Dice metric | 0.7692 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
