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PUBCHEM-ZINC05762123

 MMsINC code: MMs03375457
Type: Neutral
Formula: C19H38N4O
SMILES:   O=C(NC1CC(NC(C1)(C)C)(C)C)NC1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C19H38N4O/c1-16(2)9-13(10-17(3,4)22-16)20-15(24)21-14-11-18(5,6)23-19(7,8)12-14/h13-14,22-23H,9-12H2,1-8H3,(H2,20,21,24)

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Potential Energy
Epot(MMFF94)=18.2252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.54 g/mol  logS: -2.86065  SlogP: 2.904  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105056  Sterimol/B1: 2.76281  Sterimol/B2: 3.62635  Sterimol/B3: 4.37934
  Sterimol/B4: 6.7913  Sterimol/L: 16.6836 
 
 Surface and Volume Properties
  Accessible surface: 635.797  Positive charged surface: 475.329  Negative charged surface: 160.468  Volume: 372.375
  Hydrophobic surface: 431.463  Hydrophilic surface: 204.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03375458
PUBCHEM-ZINC05762123