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NCID-ZINC01654335

 MMsINC code: MMs02293110
Type: Neutral
Formula: C11H14N4O5
SMILES:   O(C)C1=Nc2ncc(nc2C(=O)N1C)C(O)C(O)CO
InChI:   InChI=1/C11H14N4O5/c1-15-10(19)7-9(14-11(15)20-2)12-3-5(13-7)8(18)6(17)4-16/h3,6,8,16-18H,4H2,1-2H3/t6-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=84.2959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.256 g/mol  logS: 0.37096  SlogP: -1.3218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425131  Sterimol/B1: 2.45436  Sterimol/B2: 3.25422  Sterimol/B3: 3.36522
  Sterimol/B4: 6.1744  Sterimol/L: 15.5969 
 
 Surface and Volume Properties
  Accessible surface: 486.413  Positive charged surface: 378.306  Negative charged surface: 108.108  Volume: 238.5
  Hydrophobic surface: 263.255  Hydrophilic surface: 223.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.