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ENAMINE-ZINC01670363

 MMsINC code: MMs01243250
Type: Neutral
Formula: C10H17NO6
SMILES:   O(C(=O)C(NC(=O)C)(C(OCC)=O)CO)CC
InChI:   InChI=1/C10H17NO6/c1-4-16-8(14)10(6-12,11-7(3)13)9(15)17-5-2/h12H,4-6H2,1-3H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=55.2969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.247 g/mol  logS: -1.03869  SlogP: -1.0202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153105  Sterimol/B1: 3.03668  Sterimol/B2: 4.07768  Sterimol/B3: 5.08386
  Sterimol/B4: 5.20515  Sterimol/L: 14.1836 
 
 Surface and Volume Properties
  Accessible surface: 486.225  Positive charged surface: 345.443  Negative charged surface: 140.782  Volume: 230.125
  Hydrophobic surface: 321.528  Hydrophilic surface: 164.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01243251
ENAMINE-ZINC01670363