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COMGENEX-ZINC05097597

 MMsINC code: MMs01175291
Type: Neutral
Formula: C15H24N2O3
SMILES:   o1cc(cc1)C(=O)N(CCCC)CCC(=O)NC(C)C
InChI:   InChI=1/C15H24N2O3/c1-4-5-8-17(9-6-14(18)16-12(2)3)15(19)13-7-10-20-11-13/h7,10-12H,4-6,8-9H2,1-3H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=59.3807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.77678  SlogP: 2.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614442  Sterimol/B1: 2.30182  Sterimol/B2: 2.49778  Sterimol/B3: 3.87643
  Sterimol/B4: 8.89366  Sterimol/L: 15.586 
 
 Surface and Volume Properties
  Accessible surface: 563.22  Positive charged surface: 358.618  Negative charged surface: 204.602  Volume: 288.375
  Hydrophobic surface: 420.246  Hydrophilic surface: 142.974
 
 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.