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ANALYTICONDISCOVERY-ZINC08295588

 MMsINC code: MMs00039156
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)CC1CCN(CC1CC)C(=O)NC(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-5-11-9-16(14(18)15-10(2)3)7-6-12(11)8-13(17)19-4/h10-12H,5-9H2,1-4H3,(H,15,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=22.9885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -1.78855  SlogP: 2.0156  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105989  Sterimol/B1: 2.26745  Sterimol/B2: 2.91512  Sterimol/B3: 4.83483
  Sterimol/B4: 7.52417  Sterimol/L: 15.7826 
 
 Surface and Volume Properties
  Accessible surface: 527.288  Positive charged surface: 413.266  Negative charged surface: 114.022  Volume: 279.875
  Hydrophobic surface: 405.026  Hydrophilic surface: 122.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.