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PUBCHEM-ZINC05888427

 MMsINC code: MMs03430335
Type: Neutral
Formula: C10H16N4O6
SMILES:   O1CC(O)C(O)C(O)C1NC=1C(=O)N=C(OC)NC=1N
InChI:   InChI=1/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(15)2-20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5+,6-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=79.4841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.26 g/mol  logS: -0.18662  SlogP: -3.725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074354  Sterimol/B1: 3.22032  Sterimol/B2: 3.25636  Sterimol/B3: 3.39622
  Sterimol/B4: 5.74188  Sterimol/L: 14.6929 
 
 Surface and Volume Properties
  Accessible surface: 472.977  Positive charged surface: 372.196  Negative charged surface: 100.781  Volume: 237.375
  Hydrophobic surface: 186.46  Hydrophilic surface: 286.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.