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CHEMBLOCK-ZINC04127383

 MMsINC code: MMs00543234
Type: Neutral
Formula: C11H16N2O5
SMILES:   O1C(CO)C(O)C(O)C(O)C1Nc1ncccc1
InChI:   InChI=1/C11H16N2O5/c14-5-6-8(15)9(16)10(17)11(18-6)13-7-3-1-2-4-12-7/h1-4,6,8-11,14-17H,5H2,(H,12,13)/t6-,8+,9+,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=68.8135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.258 g/mol  logS: 0.40349  SlogP: -1.7066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104715  Sterimol/B1: 2.32824  Sterimol/B2: 4.00219  Sterimol/B3: 4.69965
  Sterimol/B4: 5.52175  Sterimol/L: 12.6324 
 
 Surface and Volume Properties
  Accessible surface: 458.379  Positive charged surface: 332.674  Negative charged surface: 125.705  Volume: 227.5
  Hydrophobic surface: 251.132  Hydrophilic surface: 207.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.