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BACHEM-ZINC02561164

 MMsINC code: MMs00484235
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)C(N(C(=O)CNC)C)C(C)C)C
InChI:   InChI=1/C10H20N2O3/c1-7(2)9(10(14)15-5)12(4)8(13)6-11-3/h7,9,11H,6H2,1-5H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=65.0618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.56298  SlogP: -0.1382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116021  Sterimol/B1: 3.00424  Sterimol/B2: 3.30068  Sterimol/B3: 4.15341
  Sterimol/B4: 6.33445  Sterimol/L: 13.6882 
 
 Surface and Volume Properties
  Accessible surface: 453.154  Positive charged surface: 370.083  Negative charged surface: 83.0716  Volume: 224.625
  Hydrophobic surface: 339.724  Hydrophilic surface: 113.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.