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PUBCHEM-ZINC06224691

 MMsINC code: MMs03619708
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)=3.85223 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: 0.0641141  Sterimol/B1: 2.52506  Sterimol/B2: 2.75916  Sterimol/B3: 3.74108
  Sterimol/B4: 7.38232  Sterimol/L: 14.9855 
 
 Surface and Volume Properties
  Accessible surface: 509.197  Positive charged surface: 366.979  Negative charged surface: 142.219  Volume: 261.375
  Hydrophobic surface: 345.195  Hydrophilic surface: 164.002
 
 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


MMs03619709
PUBCHEM-ZINC06224691