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PUBCHEM-ZINC02045173

 MMsINC code: MMs02864585
Type: Neutral
Formula: C13H22N2O4
SMILES:   O(C(=O)C1(NC(=O)C(NC(=O)C)C)CCCC1)CC
InChI:   InChI=1/C13H22N2O4/c1-4-19-12(18)13(7-5-6-8-13)15-11(17)9(2)14-10(3)16/h9H,4-8H2,1-3H3,(H,14,16)(H,15,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=66.0704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.329 g/mol  logS: -1.96155  SlogP: 0.5031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113078  Sterimol/B1: 2.5692  Sterimol/B2: 3.27768  Sterimol/B3: 3.53561
  Sterimol/B4: 8.58331  Sterimol/L: 14.0022 
 
 Surface and Volume Properties
  Accessible surface: 512.493  Positive charged surface: 360.093  Negative charged surface: 152.4  Volume: 265.625
  Hydrophobic surface: 390.615  Hydrophilic surface: 121.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.