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DocumentationIdentifier: MM385661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385661 |
| SMILES |
CCC(=CCOC)NC=O
|
| InChIKey |
DOUUOKXVDBNZMA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.67
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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MM159565
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| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304071
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| Tanimoto metric | 0.7037 |
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| Cosine metric | 0.8261 |
| Dice metric | 0.8261 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304352
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Similarity to MM304352
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7921 |
| Dice metric | 0.7917 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
