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NCID-ZINC01557419

 MMsINC code: MMs02220610
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=C1NC(=O)NC=C1CNNC
InChI:   InChI=1/C6H10N4O2/c1-7-9-3-4-2-8-6(12)10-5(4)11/h2,7,9H,3H2,1H3,(H2,8,10,11,12)

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Potential Energy
Epot(MMFF94)=0.84266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: 0.2947  SlogP: -1.5663  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0880309  Sterimol/B1: 2.22821  Sterimol/B2: 3.72238  Sterimol/B3: 3.88202
  Sterimol/B4: 3.93944  Sterimol/L: 12.6065 
 
 Surface and Volume Properties
  Accessible surface: 358.159  Positive charged surface: 257.309  Negative charged surface: 100.85  Volume: 151.75
  Hydrophobic surface: 155.868  Hydrophilic surface: 202.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.