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OAKWOOD-ZINC02585684

 MMsINC code: MMs02547186
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(C(=O)C1NCCN(C1)C(OC(C)(C)C)=O)C(C)(C)C
InChI:   InChI=1/C14H26N2O4/c1-13(2,3)19-11(17)10-9-16(8-7-15-10)12(18)20-14(4,5)6/h10,15H,7-9H2,1-6H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=78.4769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -2.02115  SlogP: 1.537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724165  Sterimol/B1: 2.15708  Sterimol/B2: 3.63644  Sterimol/B3: 5.04024
  Sterimol/B4: 6.18288  Sterimol/L: 15.9607 
 
 Surface and Volume Properties
  Accessible surface: 558.407  Positive charged surface: 414.912  Negative charged surface: 143.495  Volume: 289.375
  Hydrophobic surface: 392.743  Hydrophilic surface: 165.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.