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DocumentationIdentifier: MM113736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113736 |
| SMILES |
C=CC(=C)OC=CF
|
| InChIKey |
CHHZPOHCEZEUHP-UHFFFAOYSA-N
|
| MW [Da] |
114.12
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157447
Similarity: 0.7867
Similarity to MM157447
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200421
Similarity: 0.7662
Similarity to MM200421
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116562
Similarity: 0.7123
Similarity to MM116562
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.832 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
