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PUBCHEM-ZINC06483491

 MMsINC code: MMs03759826
Type: Neutral
Formula: C10H12N4O5
SMILES:   O1C(OCC1On1c2ncnc(OC)c2nc1)CO
InChI:   InChI=1/C10H12N4O5/c1-16-10-8-9(11-4-12-10)14(5-13-8)19-7-3-17-6(2-15)18-7/h4-7,15H,2-3H2,1H3/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=80.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.229 g/mol  logS: -1.85341  SlogP: -1.0452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803526  Sterimol/B1: 2.89001  Sterimol/B2: 3.12056  Sterimol/B3: 4.05592
  Sterimol/B4: 5.10578  Sterimol/L: 15.0108 
 
 Surface and Volume Properties
  Accessible surface: 482.897  Positive charged surface: 394.327  Negative charged surface: 88.57  Volume: 224.875
  Hydrophobic surface: 300.135  Hydrophilic surface: 182.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.