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MAYBRIDGE-ZINC00895265

 MMsINC code: MMs02147677
Type: Neutral
Formula: C4H8N4O4
SMILES:   OC(=O)C(NC(=O)N)NC(=O)N
InChI:   InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)

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Potential Energy
Epot(MMFF94)=-39.2649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.132 g/mol  logS: 0.29333  SlogP: -2.2663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174784  Sterimol/B1: 2.81542  Sterimol/B2: 3.01945  Sterimol/B3: 4.09131
  Sterimol/B4: 4.46704  Sterimol/L: 9.92785 
 
 Surface and Volume Properties
  Accessible surface: 348.924  Positive charged surface: 226.604  Negative charged surface: 122.32  Volume: 136
  Hydrophobic surface: 6.77906  Hydrophilic surface: 342.14494
 
 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


MMs02147678
MAYBRIDGE-ZINC00895265