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DocumentationIdentifier: MM83762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83762 |
| SMILES |
C=C(C)C(CCN)OC=O
|
| InChIKey |
HPOGFJUNOQOCGE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
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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MM70359
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Similarity to MM70359
| Tanimoto metric | 0.6408 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7811 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93356
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| Tanimoto metric | 0.5986 |
|---|---|
| Cosine metric | 0.7514 |
| Dice metric | 0.7489 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305462
Similarity: 0.5949
Similarity to MM305462
| Tanimoto metric | 0.5949 |
|---|---|
| Cosine metric | 0.7461 |
| Dice metric | 0.746 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
