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CHEMBLOCK-ZINC04718029

 MMsINC code: MMs00572904
Type: Neutral
Formula: C20H20N4O4
SMILES:   o1c2c(nc1C1CCN(CC1)C1CC(=O)N(C1=O)c1noc(c1)C)cccc2
InChI:   InChI=1/C20H20N4O4/c1-12-10-17(22-28-12)24-18(25)11-15(20(24)26)23-8-6-13(7-9-23)19-21-14-4-2-3-5-16(14)27-19/h2-5,10,13,15H,6-9,11H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=68.6626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.404 g/mol  logS: -3.78608  SlogP: 2.63572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524267  Sterimol/B1: 2.48257  Sterimol/B2: 3.67518  Sterimol/B3: 3.89124
  Sterimol/B4: 6.82815  Sterimol/L: 20.6565 
 
 Surface and Volume Properties
  Accessible surface: 635.202  Positive charged surface: 386.343  Negative charged surface: 248.859  Volume: 342.375
  Hydrophobic surface: 505.792  Hydrophilic surface: 129.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.