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PUBCHEM-ZINC05760227

 MMsINC code: MMs03373720
Type: Ionized
Formula: C10H17ClN7O+
SMILES:   Clc1nc(C(=O)NC(=[NH2+])N)c(nc1N(C(C)C)C)N
InChI:   InChI=1/C10H16ClN7O/c1-4(2)18(3)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h4H,1-3H3,(H2,12,16)(H4,13,14,17,19)/p+1

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Potential Energy
Epot(MMFF94)=-10.5827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.747 g/mol  logS: -1.64932  SlogP: -1.6396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377341  Sterimol/B1: 2.27069  Sterimol/B2: 4.36993  Sterimol/B3: 4.72012
  Sterimol/B4: 4.95915  Sterimol/L: 14.7828 
 
 Surface and Volume Properties
  Accessible surface: 507.356  Positive charged surface: 363.855  Negative charged surface: 143.501  Volume: 257.375
  Hydrophobic surface: 210.525  Hydrophilic surface: 296.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 3
  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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Parent related molecule:


MMs03373719
PUBCHEM-ZINC05760227