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DocumentationIdentifier: MM169516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169516 |
| SMILES |
N=CNC=CC(F)CO
|
| InChIKey |
MFHOFLXQPBESEG-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169517
Similarity: 0.6436
Similarity to MM169517
| Tanimoto metric | 0.6436 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7831 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154251
Similarity: 0.6211
Similarity to MM154251
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7686 |
| Dice metric | 0.7662 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126642
Similarity: 0.6145
Similarity to MM126642
| Tanimoto metric | 0.6145 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7612 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
