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NCID-ZINC02035116

 MMsINC code: MMs02378795
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1NC(=O)N(C)C1C(OCC)=O
InChI:   InChI=1/C7H10N2O4/c1-3-13-6(11)4-5(10)8-7(12)9(4)2/h4H,3H2,1-2H3,(H,8,10,12)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=3.54766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.76987  SlogP: -0.9003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072774  Sterimol/B1: 3.04593  Sterimol/B2: 3.13752  Sterimol/B3: 3.85113
  Sterimol/B4: 4.24564  Sterimol/L: 11.9525 
 
 Surface and Volume Properties
  Accessible surface: 372.149  Positive charged surface: 260.018  Negative charged surface: 112.132  Volume: 161.375
  Hydrophobic surface: 194.652  Hydrophilic surface: 177.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.