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DocumentationIdentifier: MM58980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58980 |
| SMILES |
CC(F)(CCO)COC=O
|
| InChIKey |
DXSNFUJEPBCELR-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138265
Similarity: 0.7946
Similarity to MM138265
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233832
Similarity: 0.6449
Similarity to MM233832
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7841 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83089
Similarity: 0.6325
Similarity to MM83089
| Tanimoto metric | 0.6325 |
|---|---|
| Cosine metric | 0.7867 |
| Dice metric | 0.7749 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
