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ASINEX-ZINC03855460

 MMsINC code: MMs00290568
Type: Neutral
Formula: C9H13N3O6
SMILES:   O=C1NC(=O)NC(=O)C1=CNC(CO)(CO)CO
InChI:   InChI=1/C9H13N3O6/c13-2-9(3-14,4-15)10-1-5-6(16)11-8(18)12-7(5)17/h1,10,13-15H,2-4H2,(H2,11,12,16,17,18)

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Potential Energy
Epot(MMFF94)=33.2026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.218 g/mol  logS: 0.03073  SlogP: -3.4584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158754  Sterimol/B1: 2.62826  Sterimol/B2: 3.19186  Sterimol/B3: 4.97785
  Sterimol/B4: 5.12793  Sterimol/L: 13.4393 
 
 Surface and Volume Properties
  Accessible surface: 440.928  Positive charged surface: 306.096  Negative charged surface: 134.832  Volume: 212.625
  Hydrophobic surface: 111.978  Hydrophilic surface: 328.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.