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AURORAFEINCHEMIE-ZINC02405733

 MMsINC code: MMs00453123
Type: Ionized
Formula: C10H19N2O4-
SMILES:   O(C(C)C)CCCNC(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C10H20N2O4/c1-7(2)16-6-4-5-11-10(15)12-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.16119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -1.18666  SlogP: -0.7609  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.045879  Sterimol/B1: 2.38225  Sterimol/B2: 2.73095  Sterimol/B3: 4.10696
  Sterimol/B4: 4.50386  Sterimol/L: 17.1427 
 
 Surface and Volume Properties
  Accessible surface: 507.279  Positive charged surface: 347.423  Negative charged surface: 159.856  Volume: 227.875
  Hydrophobic surface: 294.575  Hydrophilic surface: 212.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs00453122
AURORAFEINCHEMIE-ZINC02405733