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ACROSORGANICS-ZINC01648322

 MMsINC code: MMs00010240
Type: Neutral
Formula: C12H20O7
SMILES:   O(C(=O)C(O)(CC(OCC)=O)CC(OCC)=O)CC
InChI:   InChI=1/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

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Potential Energy
Epot(MMFF94)=37.3571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.285 g/mol  logS: -1.35798  SlogP: 0.187  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0639879  Sterimol/B1: 2.68764  Sterimol/B2: 3.14776  Sterimol/B3: 4.03261
  Sterimol/B4: 7.3492  Sterimol/L: 16.9418 
 
 Surface and Volume Properties
  Accessible surface: 550.823  Positive charged surface: 402.574  Negative charged surface: 148.249  Volume: 258.75
  Hydrophobic surface: 377.393  Hydrophilic surface: 173.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.