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NCID-ZINC01576365

 MMsINC code: MMs02234936
Type: Ionized
Formula: C4H11N4O2+
SMILES:   O=C([O-])C([NH3+])CNC(=[NH2+])N
InChI:   InChI=1/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/p+1/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-52.2537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.158 g/mol  logS: 0.19005  SlogP: -5.9898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815044  Sterimol/B1: 2.7228  Sterimol/B2: 2.82978  Sterimol/B3: 3.33109
  Sterimol/B4: 3.96743  Sterimol/L: 10.7539 
 
 Surface and Volume Properties
  Accessible surface: 329.27  Positive charged surface: 246.892  Negative charged surface: 82.3782  Volume: 132.375
  Hydrophobic surface: 42.2706  Hydrophilic surface: 286.9994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 4
  Chiral centers: 1
 
 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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Parent related molecule:


MMs02234935
NCID-ZINC01576365