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PUBCHEM-ZINC00477505

 MMsINC code: MMs02688558
Type: Neutral
Formula: C10H21N7
SMILES:   n1c(nc(nc1NC(C)C)NC(C)C)N(N)C
InChI:   InChI=1/C10H21N7/c1-6(2)12-8-14-9(13-7(3)4)16-10(15-8)17(5)11/h6-7H,11H2,1-5H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-33.4317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.327 g/mol  logS: -2.93357  SlogP: 0.8221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112941  Sterimol/B1: 2.04721  Sterimol/B2: 3.6418  Sterimol/B3: 4.80736
  Sterimol/B4: 8.21261  Sterimol/L: 12.5023 
 
 Surface and Volume Properties
  Accessible surface: 504.402  Positive charged surface: 401.094  Negative charged surface: 103.309  Volume: 248.75
  Hydrophobic surface: 285.166  Hydrophilic surface: 219.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.