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SPECS-ZINC04115085

 MMsINC code: MMs03937361
Type: Neutral
Formula: C10H11N5O
SMILES:   O(C)c1ccc(N=Nc2cn[nH]c2N)cc1
InChI:   InChI=1/C10H11N5O/c1-16-8-4-2-7(3-5-8)13-14-9-6-12-15-10(9)11/h2-6H,1H3,(H3,11,12,15)/b14-13+

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Potential Energy
Epot(MMFF94)=72.0701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.232 g/mol  logS: -1.79624  SlogP: 2.4159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00443112  Sterimol/B1: 2.37349  Sterimol/B2: 2.3769  Sterimol/B3: 2.93329
  Sterimol/B4: 5.5511  Sterimol/L: 14.9682 
 
 Surface and Volume Properties
  Accessible surface: 440.352  Positive charged surface: 300.231  Negative charged surface: 140.122  Volume: 202.5
  Hydrophobic surface: 312.289  Hydrophilic surface: 128.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.