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ASINEX-ZINC04011657

 MMsINC code: MMs00296167
Type: Neutral
Formula: C11H20ClN5
SMILES:   Clc1nc(nc(n1)NC(C)(C)C)NC(C)(C)C
InChI:   InChI=1/C11H20ClN5/c1-10(2,3)16-8-13-7(12)14-9(15-8)17-11(4,5)6/h1-6H3,(H2,13,14,15,16,17)

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Potential Energy
Epot(MMFF94)=-22.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.769 g/mol  logS: -4.54589  SlogP: 2.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837552  Sterimol/B1: 2.375  Sterimol/B2: 3.98382  Sterimol/B3: 4.84401
  Sterimol/B4: 4.87423  Sterimol/L: 14.4136 
 
 Surface and Volume Properties
  Accessible surface: 485.421  Positive charged surface: 300.203  Negative charged surface: 185.218  Volume: 252.25
  Hydrophobic surface: 307.366  Hydrophilic surface: 178.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.