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ASINEX-ZINC03269693

 MMsINC code: MMs00288452
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1N(CC(O)=O)C(=O)NC1(C)C
InChI:   InChI=1/C7H10N2O4/c1-7(2)5(12)9(3-4(10)11)6(13)8-7/h3H2,1-2H3,(H,8,13)(H,10,11)

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Potential Energy
Epot(MMFF94)=-0.394091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.68475  SlogP: -0.5986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189524  Sterimol/B1: 2.80017  Sterimol/B2: 2.80739  Sterimol/B3: 4.18403
  Sterimol/B4: 4.36585  Sterimol/L: 11.0322 
 
 Surface and Volume Properties
  Accessible surface: 359.494  Positive charged surface: 218.849  Negative charged surface: 140.644  Volume: 158.875
  Hydrophobic surface: 125.064  Hydrophilic surface: 234.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00288453
ASINEX-ZINC03269693