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DocumentationIdentifier: MM72069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72069 |
| SMILES |
C=C(CCO)C(O)C=CF
|
| InChIKey |
SNXKYXIZIGWHPW-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50318
Similarity: 0.7265
Similarity to MM50318
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299576
Similarity: 0.669
Similarity to MM299576
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294794
Similarity: 0.6552
Similarity to MM294794
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7919 |
| Dice metric | 0.7917 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
