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DocumentationIdentifier: MM260721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260721 |
| SMILES |
CC(F)=CC=CC(=O)CO
|
| InChIKey |
HGRIIHPDPZXXPB-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49670
Similarity: 0.7723
Similarity to MM49670
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133419
Similarity: 0.7426
Similarity to MM133419
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260722
Similarity: 0.6903
Similarity to MM260722
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8168 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
