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NCID-ZINC01567237

 MMsINC code: MMs02228310
Type: Neutral
Formula: C6H10N2O4
SMILES:   O=C1NC(CO)C(=O)NC1CO
InChI:   InChI=1/C6H10N2O4/c9-1-3-5(11)8-4(2-10)6(12)7-3/h3-4,9-10H,1-2H2,(H,7,12)(H,8,11)/t3-,4+

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Potential Energy
Epot(MMFF94)=71.9117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.156 g/mol  logS: 0.32056  SlogP: -3.0458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140235  Sterimol/B1: 2.86354  Sterimol/B2: 3.52427  Sterimol/B3: 4.02511
  Sterimol/B4: 4.20176  Sterimol/L: 10.6524 
 
 Surface and Volume Properties
  Accessible surface: 338.256  Positive charged surface: 244.067  Negative charged surface: 94.1893  Volume: 146.75
  Hydrophobic surface: 119.463  Hydrophilic surface: 218.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.