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DocumentationIdentifier: MM171996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171996 |
| SMILES |
CC(OC=O)C(F)CN
|
| InChIKey |
JDZGSSVKDTYEKH-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
-0.16
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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MM292680
Similarity: 0.791
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| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8796 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268534
Similarity: 0.7361
Similarity to MM268534
| Tanimoto metric | 0.7361 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+278 more
