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NCID-ZINC01681739

 MMsINC code: MMs02315586
Type: Neutral
Formula: C7H10N2O4
SMILES:   O=C1NC(=O)NC1(CCC(O)=O)C
InChI:   InChI=1/C7H10N2O4/c1-7(3-2-4(10)11)5(12)8-6(13)9-7/h2-3H2,1H3,(H,10,11)(H2,8,9,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.0645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.54722  SlogP: -0.5507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211833  Sterimol/B1: 2.23911  Sterimol/B2: 2.29899  Sterimol/B3: 4.45151
  Sterimol/B4: 5.65471  Sterimol/L: 11.0682 
 
 Surface and Volume Properties
  Accessible surface: 356.488  Positive charged surface: 208.366  Negative charged surface: 148.122  Volume: 157.25
  Hydrophobic surface: 93.953  Hydrophilic surface: 262.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02315587
NCID-ZINC01681739