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PUBCHEM-ZINC06224653

 MMsINC code: MMs03619663
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-3-9(2)11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=9.31021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.31728  SlogP: 2.1176  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0572515  Sterimol/B1: 2.73201  Sterimol/B2: 2.95152  Sterimol/B3: 4.06227
  Sterimol/B4: 5.54263  Sterimol/L: 16.1605 
 
 Surface and Volume Properties
  Accessible surface: 506.702  Positive charged surface: 374.296  Negative charged surface: 132.406  Volume: 260.625
  Hydrophobic surface: 343.314  Hydrophilic surface: 163.388
 
 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


MMs03619664
PUBCHEM-ZINC06224653