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DocumentationIdentifier: MM71887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71887 |
| SMILES |
NCC=CC=COC=O
|
| InChIKey |
INPOEGZAZFTUJT-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.19
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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MM126751
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| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72400
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| Tanimoto metric | 0.7284 |
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| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215548
Similarity: 0.6571
Similarity to MM215548
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7931 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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