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DocumentationIdentifier: MM169517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169517 |
| SMILES |
O=CNC=CC(F)CO
|
| InChIKey |
BBGCENHUWHHEGC-UHFFFAOYSA-N
|
| MW [Da] |
133.12
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM259888
Similarity: 0.7411
Similarity to MM259888
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33641
Similarity: 0.7108
Similarity to MM33641
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.831 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169516
Similarity: 0.6436
Similarity to MM169516
| Tanimoto metric | 0.6436 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7831 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+477 more
