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DocumentationIdentifier: MM456465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456465 |
| SMILES |
OCCCN=CNC=CF
|
| InChIKey |
LMJNBLFPSGVGFS-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215296
Similarity: 0.8356
Similarity to MM215296
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214856
Similarity: 0.8219
Similarity to MM214856
| Tanimoto metric | 0.8219 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9023 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456461
Similarity: 0.7531
Similarity to MM456461
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8592 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
