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PUBCHEM-ZINC05817332

 MMsINC code: MMs03396544
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCN(CC1)C(=O)NC(CC(C)C)C(O)=O
InChI:   InChI=1/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=31.3954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -1.34508  SlogP: 0.5275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159261  Sterimol/B1: 2.39572  Sterimol/B2: 3.0286  Sterimol/B3: 4.19398
  Sterimol/B4: 7.21681  Sterimol/L: 13.0883 
 
 Surface and Volume Properties
  Accessible surface: 469.164  Positive charged surface: 351.607  Negative charged surface: 117.557  Volume: 234.875
  Hydrophobic surface: 303.541  Hydrophilic surface: 165.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03396545
PUBCHEM-ZINC05817332