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OTAVA-ZINC03946957

 MMsINC code: MMs02582198
Type: Neutral
Formula: C11H6Cl4N4O
SMILES:   Clc1c(\C=N/Nc2cnnc(O)c2Cl)c(Cl)ccc1Cl
InChI:   InChI=1/C11H6Cl4N4O/c12-6-1-2-7(13)9(14)5(6)3-16-18-8-4-17-19-11(20)10(8)15/h1-4H,(H2,18,19,20)/b16-3-

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Potential Energy
Epot(MMFF94)=95.4097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.008 g/mol  logS: -4.62806  SlogP: 4.2418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819703  Sterimol/B1: 2.79332  Sterimol/B2: 4.67944  Sterimol/B3: 4.6825
  Sterimol/B4: 5.12409  Sterimol/L: 12.753 
 
 Surface and Volume Properties
  Accessible surface: 485.739  Positive charged surface: 173.973  Negative charged surface: 311.766  Volume: 260.75
  Hydrophobic surface: 354.642  Hydrophilic surface: 131.097
 
 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.