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COMGENEX-ZINC00327662

 MMsINC code: MMs01123558
Type: Neutral
Formula: C15H20N2O3
SMILES:   o1cc(cc1)C(=O)N1CCCCC1C(=O)N1CCCC1
InChI:   InChI=1/C15H20N2O3/c18-14(12-6-10-20-11-12)17-9-2-1-5-13(17)15(19)16-7-3-4-8-16/h6,10-11,13H,1-5,7-9H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=99.5129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -2.39678  SlogP: 1.8967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147662  Sterimol/B1: 2.63463  Sterimol/B2: 3.03112  Sterimol/B3: 4.29679
  Sterimol/B4: 8.27765  Sterimol/L: 12.9845 
 
 Surface and Volume Properties
  Accessible surface: 498.426  Positive charged surface: 333.498  Negative charged surface: 164.927  Volume: 265.5
  Hydrophobic surface: 450.592  Hydrophilic surface: 47.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.