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ASINEX-ZINC00385942

 MMsINC code: MMs00127988
Type: Neutral
Formula: C11H11N5O2
SMILES:   O=C(NC)c1nc[nH]c1C(=O)Nc1ncccc1
InChI:   InChI=1/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18)

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Potential Energy
Epot(MMFF94)=41.5033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.242 g/mol  logS: -1.46418  SlogP: 0.4166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00484029  Sterimol/B1: 2.35284  Sterimol/B2: 2.35705  Sterimol/B3: 2.39651
  Sterimol/B4: 7.70238  Sterimol/L: 14.5959 
 
 Surface and Volume Properties
  Accessible surface: 463.352  Positive charged surface: 352.596  Negative charged surface: 110.756  Volume: 221.25
  Hydrophobic surface: 327.755  Hydrophilic surface: 135.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.