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AURORAFEINCHEMIE-ZINC04029927

 MMsINC code: MMs00463693
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)CNC(=O)C(N)CC(C)C)CC
InChI:   InChI=1/C10H20N2O3/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=43.9251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.74927  SlogP: 0.0391  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0571036  Sterimol/B1: 3.18228  Sterimol/B2: 3.29199  Sterimol/B3: 3.6776
  Sterimol/B4: 4.79081  Sterimol/L: 15.5792 
 
 Surface and Volume Properties
  Accessible surface: 480.148  Positive charged surface: 347.626  Negative charged surface: 132.522  Volume: 221.625
  Hydrophobic surface: 278.755  Hydrophilic surface: 201.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00463694
AURORAFEINCHEMIE-ZINC04029927