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TYGER-ZINC04202265

 MMsINC code: MMs03950406
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(C(C)(C)C)C(=O)N1CC(NCC1)C(O)=O
InChI:   InChI=1/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=50.0628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.62719  SlogP: 0.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101217  Sterimol/B1: 2.41193  Sterimol/B2: 2.97931  Sterimol/B3: 4.78083
  Sterimol/B4: 5.61014  Sterimol/L: 13.2673 
 
 Surface and Volume Properties
  Accessible surface: 450.782  Positive charged surface: 330.717  Negative charged surface: 120.066  Volume: 218.125
  Hydrophobic surface: 263.326  Hydrophilic surface: 187.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.