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PUBCHEM-ZINC05489330

 MMsINC code: MMs03284459
Type: Neutral
Formula: C14H24N6O2
SMILES:   O=[N+]([O-])c1c(nc(nc1N)NC(CC)C)N1CC(CCC1)C
InChI:   InChI=1/C14H24N6O2/c1-4-10(3)16-14-17-12(15)11(20(21)22)13(18-14)19-7-5-6-9(2)8-19/h9-10H,4-8H2,1-3H3,(H3,15,16,17,18)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.3329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.386 g/mol  logS: -3.55909  SlogP: 2.4137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139244  Sterimol/B1: 2.40979  Sterimol/B2: 2.7286  Sterimol/B3: 5.54149
  Sterimol/B4: 8.0493  Sterimol/L: 14.1422 
 
 Surface and Volume Properties
  Accessible surface: 573.916  Positive charged surface: 404.281  Negative charged surface: 169.635  Volume: 299.625
  Hydrophobic surface: 341.122  Hydrophilic surface: 232.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.