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ENAMINE-ZINC03545872

 MMsINC code: MMs01500760
Type: Neutral
Formula: C16H26N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NC(CCC)C
InChI:   InChI=1/C16H26N2O4/c1-6-7-9(2)17-13(20)8-22-16(21)15-10(3)14(12(5)19)11(4)18-15/h9,12,18-19H,6-8H2,1-5H3,(H,17,20)/t9-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=39.7226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.394 g/mol  logS: -2.47882  SlogP: 2.24194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515925  Sterimol/B1: 2.38422  Sterimol/B2: 3.05252  Sterimol/B3: 5.37608
  Sterimol/B4: 5.81821  Sterimol/L: 18.6301 
 
 Surface and Volume Properties
  Accessible surface: 613.913  Positive charged surface: 416.882  Negative charged surface: 197.031  Volume: 314
  Hydrophobic surface: 404.605  Hydrophilic surface: 209.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.