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AURORAFEINCHEMIE-ZINC05428353

 MMsINC code: MMs00475299
Type: Ionized
Formula: C13H25N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(CCCCC)C)C(C)C
InChI:   InChI=1/C13H26N2O3/c1-5-6-7-8-10(4)14-13(18)15-11(9(2)3)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)/p-1/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.80445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.354 g/mol  logS: -2.99322  SlogP: 1.0289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0702998  Sterimol/B1: 2.54364  Sterimol/B2: 3.34833  Sterimol/B3: 3.76933
  Sterimol/B4: 8.83885  Sterimol/L: 14.5113 
 
 Surface and Volume Properties
  Accessible surface: 530.334  Positive charged surface: 369.382  Negative charged surface: 160.952  Volume: 273.625
  Hydrophobic surface: 337.637  Hydrophilic surface: 192.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00475298
AURORAFEINCHEMIE-ZINC05428353