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DocumentationIdentifier: MM171062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171062 |
| SMILES |
CC(=CCNC=O)CF
|
| InChIKey |
HDUIYAJQRKDZJE-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73627
Similarity: 0.7746
Similarity to MM73627
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201555
Similarity: 0.7179
Similarity to MM201555
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8358 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295585
Similarity: 0.71
Similarity to MM295585
| Tanimoto metric | 0.71 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
