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PUBCHEM-ZINC06904752

 MMsINC code: MMs03895532
Type: Neutral
Formula: C4H10N4O
SMILES:   O=C(N)C1NCNC1N
InChI:   InChI=1/C4H10N4O/c5-3-2(4(6)9)7-1-8-3/h2-3,7-8H,1,5H2,(H2,6,9)/t2-,3+/m0/s1

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Potential Energy
Epot(MMFF94)=5.94341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.151 g/mol  logS: 1.17059  SlogP: -2.7246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.267626  Sterimol/B1: 2.62846  Sterimol/B2: 2.87896  Sterimol/B3: 3.20147
  Sterimol/B4: 4.63387  Sterimol/L: 9.16769 
 
 Surface and Volume Properties
  Accessible surface: 296.495  Positive charged surface: 232.763  Negative charged surface: 63.732  Volume: 119.5
  Hydrophobic surface: 74.9588  Hydrophilic surface: 221.5362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.