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PUBCHEM-ZINC05845733

 MMsINC code: MMs03413476
Type: Neutral
Formula: C16H32N4O2
SMILES:   O=C(NC1CCC(NC(=O)N(CC)CC)CC1)N(CC)CC
InChI:   InChI=1/C16H32N4O2/c1-5-19(6-2)15(21)17-13-9-11-14(12-10-13)18-16(22)20(7-3)8-4/h13-14H,5-12H2,1-4H3,(H,17,21)(H,18,22)/t13-,14-

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Potential Energy
Epot(MMFF94)=-23.1158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.458 g/mol  logS: -1.6709  SlogP: 2.4004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675005  Sterimol/B1: 2.24055  Sterimol/B2: 3.00457  Sterimol/B3: 5.18766
  Sterimol/B4: 6.67473  Sterimol/L: 17.4285 
 
 Surface and Volume Properties
  Accessible surface: 620.802  Positive charged surface: 471.891  Negative charged surface: 148.911  Volume: 336.625
  Hydrophobic surface: 477.14  Hydrophilic surface: 143.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.