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PUBCHEM-ZINC05799940

 MMsINC code: MMs03391569
Type: Neutral
Formula: C6H10N6O2
SMILES:   O=C(NC)c1[nH]cnc1NNC(=O)N
InChI:   InChI=1/C6H10N6O2/c1-8-5(13)3-4(10-2-9-3)11-12-6(7)14/h2,11H,1H3,(H,8,13)(H,9,10)(H3,7,12,14)

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Potential Energy
Epot(MMFF94)=-13.2649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.186 g/mol  logS: -0.446  SlogP: -1.2355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00857324  Sterimol/B1: 2.04799  Sterimol/B2: 2.37459  Sterimol/B3: 2.37552
  Sterimol/B4: 7.30387  Sterimol/L: 12.8513 
 
 Surface and Volume Properties
  Accessible surface: 388.936  Positive charged surface: 293.037  Negative charged surface: 95.8996  Volume: 171.5
  Hydrophobic surface: 150.205  Hydrophilic surface: 238.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.