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PUBCHEM-ZINC05131677

 MMsINC code: MMs03206551
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-/m0/s1

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Potential Energy
Epot(MMFF94)=5.53992 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: 0.124014  Sterimol/B1: 2.49802  Sterimol/B2: 3.51634  Sterimol/B3: 3.62269
  Sterimol/B4: 6.4239  Sterimol/L: 10.3808 
 
 Surface and Volume Properties
  Accessible surface: 372.643  Positive charged surface: 264.926  Negative charged surface: 107.717  Volume: 162.125
  Hydrophobic surface: 97.3246  Hydrophilic surface: 275.3184
 
 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.