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IFLAB-ZINC05255815

 MMsINC code: MMs02085590
Type: Neutral
Formula: C13H26N6
SMILES:   n1c(nc(nc1NC(C)C)NC(C)C)NC(C)(C)C
InChI:   InChI=1/C13H26N6/c1-8(2)14-10-16-11(15-9(3)4)18-12(17-10)19-13(5,6)7/h8-9H,1-7H3,(H3,14,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-51.6643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.393 g/mol  logS: -3.93527  SlogP: 2.7226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102609  Sterimol/B1: 2.16082  Sterimol/B2: 2.66096  Sterimol/B3: 4.58184
  Sterimol/B4: 9.23749  Sterimol/L: 14.1668 
 
 Surface and Volume Properties
  Accessible surface: 544.793  Positive charged surface: 403.324  Negative charged surface: 141.47  Volume: 287.375
  Hydrophobic surface: 327.14  Hydrophilic surface: 217.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.