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PUBCHEM-ZINC05644947

 MMsINC code: MMs03333508
Type: Neutral
Formula: C22H42N4O4
SMILES:   O=C(NC1CC(N(O)C(C1)(C)C)(C)C)CCC(=O)NC1CC(N(O)C(C1)(C)C)(C)C
InChI:   InChI=1/C22H42N4O4/c1-19(2)11-15(12-20(3,4)25(19)29)23-17(27)9-10-18(28)24-16-13-21(5,6)26(30)22(7,8)14-16/h15-16,29-30H,9-14H2,1-8H3,(H,23,27)(H,24,28)

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Potential Energy
Epot(MMFF94)=77.7513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.602 g/mol  logS: -2.56262  SlogP: 2.8206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510937  Sterimol/B1: 2.29112  Sterimol/B2: 3.15983  Sterimol/B3: 5.98884
  Sterimol/B4: 6.04867  Sterimol/L: 20.4609 
 
 Surface and Volume Properties
  Accessible surface: 739.208  Positive charged surface: 534.933  Negative charged surface: 204.276  Volume: 440.75
  Hydrophobic surface: 473.581  Hydrophilic surface: 265.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.