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DocumentationIdentifier: MM57386
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57386 |
| SMILES |
CC(C)(O)C(C)(F)CCO
|
| InChIKey |
JJKBEJUQUXUMEU-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM130996
Similarity: 0.7465
Similarity to MM130996
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM40443
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| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8361 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM222359
Similarity: 0.6746
Similarity to MM222359
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8057 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
