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ANALYTICONDISCOVERY-ZINC04270849

 MMsINC code: MMs00035174
Type: Neutral
Formula: C13H22N4O3
SMILES:   O=C1N(C(C)C)C(=O)N2C1CN(CC2)C(=O)NC(C)C
InChI:   InChI=1/C13H22N4O3/c1-8(2)14-12(19)15-5-6-16-10(7-15)11(18)17(9(3)4)13(16)20/h8-10H,5-7H2,1-4H3,(H,14,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=9.3686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.344 g/mol  logS: -1.29398  SlogP: 0.4612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07652  Sterimol/B1: 2.33723  Sterimol/B2: 4.11768  Sterimol/B3: 4.68695
  Sterimol/B4: 4.87327  Sterimol/L: 15.338 
 
 Surface and Volume Properties
  Accessible surface: 521.395  Positive charged surface: 374.133  Negative charged surface: 147.262  Volume: 271
  Hydrophobic surface: 347.825  Hydrophilic surface: 173.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.