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AURORAFEINCHEMIE-ZINC05423049

 MMsINC code: MMs00475182
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCCCC1)C(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-11(2)13(14(18)20-3)17-15(19)16-12-9-7-5-4-6-8-10-12/h11-13H,4-10H2,1-3H3,(H2,16,17,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=85.7262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -3.24483  SlogP: 2.5961  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0673812  Sterimol/B1: 2.46496  Sterimol/B2: 3.36472  Sterimol/B3: 4.03596
  Sterimol/B4: 6.57602  Sterimol/L: 15.7406 
 
 Surface and Volume Properties
  Accessible surface: 536.814  Positive charged surface: 415.278  Negative charged surface: 121.536  Volume: 291.75
  Hydrophobic surface: 426.35  Hydrophilic surface: 110.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.