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NCID-ZINC01645975

 MMsINC code: MMs02286652
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1NC(CN1C(=O)C)C(OC)=O
InChI:   InChI=1/C7H10N2O4/c1-4(10)9-3-5(6(11)13-2)8-7(9)12/h5H,3H2,1-2H3,(H,8,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=17.1208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.45002  SlogP: -0.9003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871932  Sterimol/B1: 2.44592  Sterimol/B2: 3.59515  Sterimol/B3: 3.92714
  Sterimol/B4: 4.13696  Sterimol/L: 12.4266 
 
 Surface and Volume Properties
  Accessible surface: 367.568  Positive charged surface: 260.51  Negative charged surface: 107.058  Volume: 159.875
  Hydrophobic surface: 222.373  Hydrophilic surface: 145.195
 
 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.