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COMGENEX-ZINC06682439

 MMsINC code: MMs01180588
Type: Neutral
Formula: C14H22N2O3
SMILES:   o1cc(cc1)C(=O)N(CCC(=O)NC(C)C)CCC
InChI:   InChI=1/C14H22N2O3/c1-4-7-16(8-5-13(17)15-11(2)3)14(18)12-6-9-19-10-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=59.2846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -2.26156  SlogP: 2.0465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060277  Sterimol/B1: 2.34547  Sterimol/B2: 2.98422  Sterimol/B3: 3.23038
  Sterimol/B4: 8.82386  Sterimol/L: 14.2408 
 
 Surface and Volume Properties
  Accessible surface: 525.099  Positive charged surface: 327.506  Negative charged surface: 197.593  Volume: 271.25
  Hydrophobic surface: 382.491  Hydrophilic surface: 142.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.