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PUBCHEM-ZINC02389533

 MMsINC code: MMs02886908
Type: Neutral
Formula: C10H16N4O3
SMILES:   O=C1N(C)C(=O)N(CC(C)C)C(N)=C1NC=O
InChI:   InChI=1/C10H16N4O3/c1-6(2)4-14-8(11)7(12-5-15)9(16)13(3)10(14)17/h5-6H,4,11H2,1-3H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=38.9777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.263 g/mol  logS: -1.11234  SlogP: -0.5898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878776  Sterimol/B1: 2.36168  Sterimol/B2: 4.00633  Sterimol/B3: 4.06291
  Sterimol/B4: 5.33977  Sterimol/L: 12.2218 
 
 Surface and Volume Properties
  Accessible surface: 431.391  Positive charged surface: 322.217  Negative charged surface: 109.174  Volume: 220.5
  Hydrophobic surface: 223.622  Hydrophilic surface: 207.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.