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BACHEM-ZINC02526319

 MMsINC code: MMs00483480
Type: Neutral
Formula: C16H32N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)CNC(C(C)C)C(O)=O
InChI:   InChI=1/C16H32N2O4/c1-10(2)8-12(18-15(21)22-16(5,6)7)9-17-13(11(3)4)14(19)20/h10-13,17H,8-9H2,1-7H3,(H,18,21)(H,19,20)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=65.2944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.442 g/mol  logS: -2.87451  SlogP: 2.6246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106266  Sterimol/B1: 2.47432  Sterimol/B2: 3.41113  Sterimol/B3: 4.78841
  Sterimol/B4: 9.11128  Sterimol/L: 14.617 
 
 Surface and Volume Properties
  Accessible surface: 616.785  Positive charged surface: 435.354  Negative charged surface: 181.431  Volume: 329.875
  Hydrophobic surface: 381.732  Hydrophilic surface: 235.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.