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PUBCHEM-ZINC06483305

 MMsINC code: MMs03759681
Type: Neutral
Formula: C11H15N5O4
SMILES:   O1C(CO)C(O)C(OC)C1NC1=NC=NC2=NC=NC12
InChI:   InChI=1/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-10-6-9(13-3-12-6)14-4-15-10/h3-8,11,17-18H,2H2,1H3,(H,12,13,14,15,16)/t5-,6-,7+,8-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=82.3283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.272 g/mol  logS: -1.30413  SlogP: -2.0815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169375  Sterimol/B1: 2.40432  Sterimol/B2: 3.73198  Sterimol/B3: 4.90758
  Sterimol/B4: 8.51046  Sterimol/L: 12.6402 
 
 Surface and Volume Properties
  Accessible surface: 490.644  Positive charged surface: 382.965  Negative charged surface: 107.679  Volume: 244.5
  Hydrophobic surface: 228.366  Hydrophilic surface: 262.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.