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PUBCHEM-ZINC06906869

 MMsINC code: MMs03897279
Type: Neutral
Formula: C16H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C16H28N4O4/c1-10(2)7-8-16(6)12(22)20(14(24)19-16)9-11(21)17-13(23)18-15(3,4)5/h10H,7-9H2,1-6H3,(H,19,24)(H2,17,18,21,23)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=25.1072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -3.81907  SlogP: 1.3574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498018  Sterimol/B1: 3.1042  Sterimol/B2: 3.93663  Sterimol/B3: 4.03723
  Sterimol/B4: 7.11319  Sterimol/L: 17.9793 
 
 Surface and Volume Properties
  Accessible surface: 623.836  Positive charged surface: 425.153  Negative charged surface: 198.682  Volume: 329.75
  Hydrophobic surface: 342.7  Hydrophilic surface: 281.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.