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CHEMBRIDGE-ZINC00208744

 MMsINC code: MMs00595820
Type: Neutral
Formula: C11H20ClN5
SMILES:   Clc1nc(nc(n1)NC(C)(C)C)N(CC)CC
InChI:   InChI=1/C11H20ClN5/c1-6-17(7-2)10-14-8(12)13-9(15-10)16-11(3,4)5/h6-7H2,1-5H3,(H,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-35.1631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.769 g/mol  logS: -4.34963  SlogP: 2.5816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922536  Sterimol/B1: 2.66458  Sterimol/B2: 4.21068  Sterimol/B3: 4.3087
  Sterimol/B4: 6.47397  Sterimol/L: 13.4362 
 
 Surface and Volume Properties
  Accessible surface: 500.484  Positive charged surface: 326.95  Negative charged surface: 173.534  Volume: 256
  Hydrophobic surface: 340.949  Hydrophilic surface: 159.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.