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DocumentationIdentifier: MM328572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328572 |
| SMILES |
C=C(CF)CC(CC)OC
|
| InChIKey |
KRVZBUYSCCIJLG-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142032
Similarity: 0.7869
Similarity to MM142032
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8807 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141934
Similarity: 0.7295
Similarity to MM141934
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149912
Similarity: 0.6967
Similarity to MM149912
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8213 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
