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DocumentationIdentifier: MM83572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83572 |
| SMILES |
NCCC(F)C=COC=O
|
| InChIKey |
BUCIPPYTOAOIMA-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169540
Similarity: 0.8105
Similarity to MM169540
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281468
Similarity: 0.7453
Similarity to MM281468
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8541 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281630
Similarity: 0.713
Similarity to MM281630
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8324 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
