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PUBCHEM-ZINC06564147

 MMsINC code: MMs03798285
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(C(C)C)CCCNC(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C12H24N2O4/c1-8(2)10(11(15)16)14-12(17)13-6-5-7-18-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=8.73087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.32975  SlogP: 1.2099  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0506667  Sterimol/B1: 2.50128  Sterimol/B2: 2.53532  Sterimol/B3: 4.24796
  Sterimol/B4: 5.78012  Sterimol/L: 17.2177 
 
 Surface and Volume Properties
  Accessible surface: 542.844  Positive charged surface: 392.123  Negative charged surface: 150.721  Volume: 262.25
  Hydrophobic surface: 323.931  Hydrophilic surface: 218.913
 
 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


MMs03798286
PUBCHEM-ZINC06564147