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NCID-ZINC01608645

 MMsINC code: MMs02260081
Type: Neutral
Formula: C10H13NO6
SMILES:   O=C1C(=O)C(NC1C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C10H13NO6/c1-3-16-9(14)5-7(12)8(13)6(11-5)10(15)17-4-2/h5-6,11H,3-4H2,1-2H3/t5-,6+

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Potential Energy
Epot(MMFF94)=63.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.215 g/mol  logS: -1.63978  SlogP: -1.4088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613524  Sterimol/B1: 2.43377  Sterimol/B2: 3.1693  Sterimol/B3: 4.18165
  Sterimol/B4: 4.24322  Sterimol/L: 15.8587 
 
 Surface and Volume Properties
  Accessible surface: 468.025  Positive charged surface: 296.95  Negative charged surface: 171.075  Volume: 212.25
  Hydrophobic surface: 249.344  Hydrophilic surface: 218.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.