Identifier: MM225812
2D Structure
3D Structure
Source:
General | |
Identifier | MM225812 |
SMILES |
C=C(C)C(=O)C(C)(C)C=O
|
InChIKey |
CXURNMCKKLYEPF-UHFFFAOYSA-N
|
MW [Da] |
140.18
Automatically obtained from RDkit software. |
LogP |
1.36
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 | 0.784 |
---|---|
Cosine metric | 0.8854 |
Dice metric | 0.8789 |
MW: | 126.16 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.97 |
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AI: | 0
Total active interactions
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MM15510
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Similarity to MM15510
Tanimoto metric | 0.7313 |
---|---|
Cosine metric | 0.8474 |
Dice metric | 0.8448 |
MW: | 140.14 |
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---|---|---|---|---|---|
PI: | 1
Total passive interactions
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LogP: | 0.15 |
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AI: | 0
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Similarity to MM352411
Tanimoto metric | 0.6667 |
---|---|
Cosine metric | 0.8002 |
Dice metric | 0.8 |
MW: | 140.14 |
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PI: | 2
Total passive interactions
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LogP: | 0.15 |
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AI: | 0
Total active interactions
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+283 more