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ASINEX-ZINC00040202

 MMsINC code: MMs00062507
Type: Neutral
Formula: C10H17N3O3
SMILES:   O(C)c1nc(nc(c1)C)N(CCO)CCO
InChI:   InChI=1/C10H17N3O3/c1-8-7-9(16-2)12-10(11-8)13(3-5-14)4-6-15/h7,14-15H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=18.9357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.264 g/mol  logS: -1.08684  SlogP: -0.41538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213249  Sterimol/B1: 2.05687  Sterimol/B2: 3.32679  Sterimol/B3: 4.62476
  Sterimol/B4: 8.22344  Sterimol/L: 10.3322 
 
 Surface and Volume Properties
  Accessible surface: 457.935  Positive charged surface: 383.808  Negative charged surface: 74.1275  Volume: 221.25
  Hydrophobic surface: 328.557  Hydrophilic surface: 129.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.