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ANALYTICONDISCOVERY-ZINC04260210

 MMsINC code: MMs00034310
Type: Neutral
Formula: C14H22N4O3
SMILES:   O=C1N2C(CN(CC2)C(=O)NC(C)C)C(=O)N2C1CCC2
InChI:   InChI=1/C14H22N4O3/c1-9(2)15-14(21)16-6-7-18-11(8-16)13(20)17-5-3-4-10(17)12(18)19/h9-11H,3-8H2,1-2H3,(H,15,21)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=74.8181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.355 g/mol  logS: -1.13598  SlogP: -0.3782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870353  Sterimol/B1: 2.20391  Sterimol/B2: 3.48221  Sterimol/B3: 5.28362
  Sterimol/B4: 5.91264  Sterimol/L: 14.8437 
 
 Surface and Volume Properties
  Accessible surface: 520.436  Positive charged surface: 396.448  Negative charged surface: 123.988  Volume: 276.625
  Hydrophobic surface: 382.973  Hydrophilic surface: 137.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.