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AURORAFEINCHEMIE-ZINC05428353

 MMsINC code: MMs00475298
Type: Neutral
Formula: C13H26N2O3
SMILES:   OC(=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)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=5.46228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.73277  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0408259  Sterimol/B1: 2.80574  Sterimol/B2: 2.8324  Sterimol/B3: 3.15662
  Sterimol/B4: 7.64689  Sterimol/L: 15.5497 
 
 Surface and Volume Properties
  Accessible surface: 547.471  Positive charged surface: 398.595  Negative charged surface: 148.876  Volume: 272.25
  Hydrophobic surface: 347.448  Hydrophilic surface: 200.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00475299
AURORAFEINCHEMIE-ZINC05428353