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COMGENEX-ZINC04571784

 MMsINC code: MMs01147307
Type: Neutral
Formula: C15H24N2O3
SMILES:   o1cc(cc1)C(=O)N(CC(C)C)CCC(=O)NCCC
InChI:   InChI=1/C15H24N2O3/c1-4-7-16-14(18)5-8-17(10-12(2)3)15(19)13-6-9-20-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=72.9404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.33789  SlogP: 2.2941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502772  Sterimol/B1: 3.01736  Sterimol/B2: 3.32785  Sterimol/B3: 4.3716
  Sterimol/B4: 7.94619  Sterimol/L: 15.7443 
 
 Surface and Volume Properties
  Accessible surface: 553.516  Positive charged surface: 359.22  Negative charged surface: 194.296  Volume: 287.625
  Hydrophobic surface: 413.834  Hydrophilic surface: 139.682
 
 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.