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CHEMBLOCK-ZINC00052289

 MMsINC code: MMs00489680
Type: Neutral
Formula: C16H28N2O4
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C16H28N2O4/c1-16(2,3)22-15(21)18-10-12(19)9-13(18)14(20)17-11-7-5-4-6-8-11/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=63.494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -2.50735  SlogP: 1.8056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969875  Sterimol/B1: 2.36394  Sterimol/B2: 2.93829  Sterimol/B3: 5.21863
  Sterimol/B4: 8.28814  Sterimol/L: 15.3044 
 
 Surface and Volume Properties
  Accessible surface: 586.615  Positive charged surface: 456.161  Negative charged surface: 130.454  Volume: 311.25
  Hydrophobic surface: 448.188  Hydrophilic surface: 138.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.