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PUBCHEM-ZINC05131673

 MMsINC code: MMs03206547
Type: Neutral
Formula: C6H10N4O4
SMILES:   O=C1N(C2NC(=O)NC2N1CO)CO
InChI:   InChI=1/C6H10N4O4/c11-1-9-3-4(8-5(13)7-3)10(2-12)6(9)14/h3-4,11-12H,1-2H2,(H2,7,8,13)/t3-,4+

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Potential Energy
Epot(MMFF94)=-44.5431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.17 g/mol  logS: 1.5288  SlogP: -2.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158068  Sterimol/B1: 2.6469  Sterimol/B2: 3.29803  Sterimol/B3: 3.79142
  Sterimol/B4: 5.80723  Sterimol/L: 10.3226 
 
 Surface and Volume Properties
  Accessible surface: 373.343  Positive charged surface: 269.988  Negative charged surface: 103.355  Volume: 162.875
  Hydrophobic surface: 105.454  Hydrophilic surface: 267.889
 
 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.