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DocumentationIdentifier: MM376131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376131 |
| SMILES |
C=CC(O)C(CCN)NC
|
| InChIKey |
OUSPJRHZSCQGOS-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
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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| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172067
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| Tanimoto metric | 0.7059 |
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| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.79 |
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| AI: | 0
Total active interactions
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MM362419
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Similarity to MM362419
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8142 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
