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DocumentationIdentifier: MM112665
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112665 |
| SMILES |
O=CNCC(O)CF
|
| InChIKey |
WPJVCDWKOREFOI-UHFFFAOYSA-N
|
| MW [Da] |
121.11
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198669
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| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM141722
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| Tanimoto metric | 0.7174 |
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| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138234
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Similarity to MM138234
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
