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PUBCHEM-ZINC06051157

 MMsINC code: MMs03515653
Type: Ionized
Formula: C13H25N2O4-
SMILES:   O(CCCC)CCCNC(=O)NC(C(C)C)C(=O)[O-]
InChI:   InChI=1/C13H26N2O4/c1-4-5-8-19-9-6-7-14-13(18)15-11(10(2)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.97515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.353 g/mol  logS: -1.97998  SlogP: 0.2669  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0364692  Sterimol/B1: 3.53306  Sterimol/B2: 3.72123  Sterimol/B3: 4.02467
  Sterimol/B4: 4.16752  Sterimol/L: 19.9501 
 
 Surface and Volume Properties
  Accessible surface: 583.19  Positive charged surface: 426.602  Negative charged surface: 156.588  Volume: 282.375
  Hydrophobic surface: 391.5  Hydrophilic surface: 191.69
 
 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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MMs03515652
PUBCHEM-ZINC06051157