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ASINEX-ZINC04023143

 MMsINC code: MMs00297094
Type: Neutral
Formula: C17H32O5
SMILES:   OC(=O)C(CCCCCCCCCCCCCO)(C(O)=O)C
InChI:   InChI=1/C17H32O5/c1-17(15(19)20,16(21)22)13-11-9-7-5-3-2-4-6-8-10-12-14-18/h18H,2-14H2,1H3,(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=7.1531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.438 g/mol  logS: -4.58022  SlogP: 3.8354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243194  Sterimol/B1: 2.09521  Sterimol/B2: 3.69385  Sterimol/B3: 4.10936
  Sterimol/B4: 5.46987  Sterimol/L: 24.0354 
 
 Surface and Volume Properties
  Accessible surface: 668.569  Positive charged surface: 503.922  Negative charged surface: 164.647  Volume: 328.875
  Hydrophobic surface: 440.381  Hydrophilic surface: 228.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00297095
ASINEX-ZINC04023143