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DocumentationIdentifier: MM261843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261843 |
| SMILES |
C=C(CF)CC(O)CCC
|
| InChIKey |
HJPYEZATQJOLFA-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141934
Similarity: 0.8812
Similarity to MM141934
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262018
Similarity: 0.8532
Similarity to MM262018
| Tanimoto metric | 0.8532 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9208 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244908
Similarity: 0.7438
Similarity to MM244908
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8531 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+563 more
