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APOLLO-ZINC00158864

 MMsINC code: MMs00045157
Type: Neutral
Formula: C10H14N4O2
SMILES:   O1CCN(CC1)c1ncc(cc1)C(=O)NN
InChI:   InChI=1/C10H14N4O2/c11-13-10(15)8-1-2-9(12-7-8)14-3-5-16-6-4-14/h1-2,7H,3-6,11H2,(H,13,15)

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Potential Energy
Epot(MMFF94)=120.446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -0.88894  SlogP: -0.4783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310132  Sterimol/B1: 2.44946  Sterimol/B2: 2.48508  Sterimol/B3: 3.43821
  Sterimol/B4: 5.54505  Sterimol/L: 13.9972 
 
 Surface and Volume Properties
  Accessible surface: 422.976  Positive charged surface: 329.386  Negative charged surface: 93.5898  Volume: 206
  Hydrophobic surface: 262.266  Hydrophilic surface: 160.71
 
 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.