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ASINEX-ZINC00782926

 MMsINC code: MMs00161822
Type: Neutral
Formula: C11H11FN4O2
SMILES:   Fc1cc(Nc2nc(OC)nc(OC)n2)ccc1
InChI:   InChI=1/C11H11FN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-9.3554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.233 g/mol  logS: -4.27148  SlogP: 1.7715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321008  Sterimol/B1: 2.501  Sterimol/B2: 2.60511  Sterimol/B3: 2.94946
  Sterimol/B4: 6.60058  Sterimol/L: 14.0165 
 
 Surface and Volume Properties
  Accessible surface: 457.969  Positive charged surface: 313.69  Negative charged surface: 144.279  Volume: 219.5
  Hydrophobic surface: 352.212  Hydrophilic surface: 105.757
 
 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.