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CHEMBRIDGE-ZINC00614684

 MMsINC code: MMs00634059
Type: Neutral
Formula: C10H11N5O2
SMILES:   O(c1cc(OC)ccc1)c1nc(nc(n1)N)N
InChI:   InChI=1/C10H11N5O2/c1-16-6-3-2-4-7(5-6)17-10-14-8(11)13-9(12)15-10/h2-5H,1H3,(H4,11,12,13,14,15)

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Potential Energy
Epot(MMFF94)=-31.9716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.231 g/mol  logS: -3.53027  SlogP: 0.8369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973464  Sterimol/B1: 2.37911  Sterimol/B2: 2.94528  Sterimol/B3: 4.25376
  Sterimol/B4: 5.59757  Sterimol/L: 13.8104 
 
 Surface and Volume Properties
  Accessible surface: 448.65  Positive charged surface: 322.487  Negative charged surface: 126.163  Volume: 209.75
  Hydrophobic surface: 234.245  Hydrophilic surface: 214.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.