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AURORAFEINCHEMIE-ZINC00542197

 MMsINC code: MMs00447532
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCC(CC1)C)CC(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-7-5-11(3)6-8-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=32.6333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.7353  SlogP: 2.0156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126102  Sterimol/B1: 2.74192  Sterimol/B2: 4.42535  Sterimol/B3: 5.02109
  Sterimol/B4: 5.60952  Sterimol/L: 15.2614 
 
 Surface and Volume Properties
  Accessible surface: 532.558  Positive charged surface: 421.938  Negative charged surface: 110.62  Volume: 279.75
  Hydrophobic surface: 417.628  Hydrophilic surface: 114.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.