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IFLAB-ZINC05255818

 MMsINC code: MMs02085593
Type: Neutral
Formula: C11H22N6O
SMILES:   OCCNc1nc(nc(n1)NC(C)C)NC(C)C
InChI:   InChI=1/C11H22N6O/c1-7(2)13-10-15-9(12-5-6-18)16-11(17-10)14-8(3)4/h7-8,18H,5-6H2,1-4H3,(H3,12,13,14,15,16,17)

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Potential Energy
Epot(MMFF94)=-63.3857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.338 g/mol  logS: -2.7511  SlogP: 0.9164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809615  Sterimol/B1: 2.47426  Sterimol/B2: 3.749  Sterimol/B3: 4.3163
  Sterimol/B4: 8.363  Sterimol/L: 14.0655 
 
 Surface and Volume Properties
  Accessible surface: 537.754  Positive charged surface: 422.895  Negative charged surface: 114.86  Volume: 258.25
  Hydrophobic surface: 295.696  Hydrophilic surface: 242.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.