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APOLLO-ZINC00896284

 MMsINC code: MMs00048928
Type: Neutral
Formula: C6H10ClN5
SMILES:   Clc1nc(nc(n1)N)NC(C)C
InChI:   InChI=1/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=-66.4561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.634 g/mol  logS: -3.16147  SlogP: 0.9275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875923  Sterimol/B1: 2.41173  Sterimol/B2: 2.49297  Sterimol/B3: 4.01443
  Sterimol/B4: 6.26517  Sterimol/L: 11.5796 
 
 Surface and Volume Properties
  Accessible surface: 384.888  Positive charged surface: 230.208  Negative charged surface: 154.68  Volume: 165.875
  Hydrophobic surface: 189.927  Hydrophilic surface: 194.961
 
 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.