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DocumentationIdentifier: MM329417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329417 |
| SMILES |
C=CC(CN)OC(=C)CC
|
| InChIKey |
GWQGRGBGEBYFRN-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
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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MM150046
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| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142073
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| Tanimoto metric | 0.7131 |
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| Cosine metric | 0.8445 |
| Dice metric | 0.8325 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262723
Similarity: 0.6992
Similarity to MM262723
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8256 |
| Dice metric | 0.823 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
