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DocumentationIdentifier: MM198817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198817 |
| SMILES |
C=CC(CCCN)OC
|
| InChIKey |
KPRHWROTYBSZGD-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402899
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Similarity to MM402899
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116021
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| Tanimoto metric | 0.7407 |
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| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326716
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Similarity to MM326716
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+677 more
