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CHEMBRIDGE-ZINC00172139

 MMsINC code: MMs00592901
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=C1NC2(NC(=O)NC2(N1)C)C
InChI:   InChI=1/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12)/t5-,6+

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Potential Energy
Epot(MMFF94)=-23.7705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: -0.68214  SlogP: -0.9556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.889068  Sterimol/B1: 2.06057  Sterimol/B2: 4.50253  Sterimol/B3: 4.66186
  Sterimol/B4: 4.99427  Sterimol/L: 7.88806 
 
 Surface and Volume Properties
  Accessible surface: 326.385  Positive charged surface: 211.204  Negative charged surface: 115.18  Volume: 145.75
  Hydrophobic surface: 85.4607  Hydrophilic surface: 240.9243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.