Identifier: MM314693
2D Structure
3D Structure
Source:
General | |
Identifier | MM314693 |
SMILES |
CCC(C)(OC=O)C(=O)O
|
InChIKey |
PPGKABOXBBPNHP-UHFFFAOYSA-N
|
MW [Da] |
146.14
Automatically obtained from RDkit software. |
LogP |
0.41
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 | 0.6516 |
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Cosine metric | 0.8072 |
Dice metric | 0.7891 |
MW: | 132.12 |
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PI: | 2
Total passive interactions
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LogP: | 0.02 |
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Cosine metric | 0.7369 |
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MW: | 148.11 |
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Tanimoto metric | 0.5568 |
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Cosine metric | 0.7174 |
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MW: | 146.14 |
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PI: | 3
Total passive interactions
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LogP: | 0.11 |
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AI: | 0
Total active interactions
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+7 more