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MAYBRIDGE-ZINC04344159

 MMsINC code: MMs02169646
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NCC)C
InChI:   InChI=1/C10H20N2O3/c1-6-11-8(13)7(2)12-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)(H,12,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=21.6572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.64855  SlogP: 1.0357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061714  Sterimol/B1: 2.99708  Sterimol/B2: 3.1828  Sterimol/B3: 3.79313
  Sterimol/B4: 4.19097  Sterimol/L: 15.5422 
 
 Surface and Volume Properties
  Accessible surface: 468.77  Positive charged surface: 333.322  Negative charged surface: 135.448  Volume: 222.75
  Hydrophobic surface: 293.117  Hydrophilic surface: 175.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.