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NCID-ZINC01651842

 MMsINC code: MMs02291128
Type: Neutral
Formula: C7H10N2O3
SMILES:   O=C1N(C(C)C)C(=O)NC(=O)C1
InChI:   InChI=1/C7H10N2O3/c1-4(2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)

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Potential Energy
Epot(MMFF94)=-16.5216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.168 g/mol  logS: -0.95814  SlogP: -0.1367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207196  Sterimol/B1: 2.37399  Sterimol/B2: 3.6255  Sterimol/B3: 4.22965
  Sterimol/B4: 4.87523  Sterimol/L: 10.2319 
 
 Surface and Volume Properties
  Accessible surface: 334.914  Positive charged surface: 203.321  Negative charged surface: 131.593  Volume: 150.5
  Hydrophobic surface: 151.989  Hydrophilic surface: 182.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.