Identifier: MM275625
2D Structure
3D Structure
Source:
General | |
Identifier | MM275625 |
SMILES |
COCC#CCCC(=O)O
|
InChIKey |
FTMKCLWSHXMSMZ-UHFFFAOYSA-N
|
MW [Da] |
142.15
Automatically obtained from RDkit software. |
LogP |
0.5
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 | 0.8442 |
---|---|
Cosine metric | 0.9188 |
Dice metric | 0.9155 |
MW: | 128.13 |
||||
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PI: | 3
Total passive interactions
|
LogP: | -0.15 |
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AI: | 0
Total active interactions
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MM91958
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Tanimoto metric | 0.7634 |
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Cosine metric | 0.8675 |
Dice metric | 0.8659 |
MW: | 142.15 |
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PI: | 1
Total passive interactions
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LogP: | -0.06 |
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Tanimoto metric | 0.7143 |
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Cosine metric | 0.8452 |
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MW: | 112.13 |
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PI: | 5
Total passive interactions
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LogP: | 0.87 |
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AI: | 0
Total active interactions
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+370 more