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DocumentationIdentifier: MM67037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67037 |
| SMILES |
CNCC(C)OC=O
|
| InChIKey |
PWWLKRQVFPZBEO-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-0.23
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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MM68967
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| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.747 |
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| Cosine metric | 0.8643 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM70770
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Similarity to MM70770
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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