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ENAMINE-ZINC03543986

 MMsINC code: MMs01499667
Type: Neutral
Formula: C16H26N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NC(CC)CC
InChI:   InChI=1/C16H26N2O4/c1-6-12(7-2)18-13(20)8-22-16(21)15-9(3)14(11(5)19)10(4)17-15/h11-12,17,19H,6-8H2,1-5H3,(H,18,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=45.4089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.394 g/mol  logS: -2.16537  SlogP: 2.24194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551004  Sterimol/B1: 2.32146  Sterimol/B2: 2.68542  Sterimol/B3: 5.32521
  Sterimol/B4: 6.35803  Sterimol/L: 17.5664 
 
 Surface and Volume Properties
  Accessible surface: 597.716  Positive charged surface: 405.817  Negative charged surface: 191.899  Volume: 311.625
  Hydrophobic surface: 403.135  Hydrophilic surface: 194.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.