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AURORAFEINCHEMIE-ZINC00538206

 MMsINC code: MMs00447430
Type: Neutral
Formula: C19H34N2O3
SMILES:   O(C(=O)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C)C
InChI:   InChI=1/C19H34N2O3/c1-14(2)17(18(22)24-3)20-19(23)21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h14-17H,4-13H2,1-3H3,(H,20,23)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=70.6338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.492 g/mol  logS: -3.57954  SlogP: 3.861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193138  Sterimol/B1: 2.21721  Sterimol/B2: 3.33384  Sterimol/B3: 4.94462
  Sterimol/B4: 9.40184  Sterimol/L: 15.1313 
 
 Surface and Volume Properties
  Accessible surface: 594.479  Positive charged surface: 478.125  Negative charged surface: 116.354  Volume: 353.75
  Hydrophobic surface: 534.889  Hydrophilic surface: 59.59
 
 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.