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DocumentationIdentifier: MM47696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47696 |
| SMILES |
C=CC(C=CCO)NC
|
| InChIKey |
YXYJKCIXYGEQHS-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.31
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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MM378567
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| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.7 |
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MM424012
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| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.9006 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.96 |
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|---|---|---|---|---|---|
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