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APOLLO-ZINC00163268

 MMsINC code: MMs00047075
Type: Neutral
Formula: C5H4Cl2N2
SMILES:   Clc1nc(Cl)ccc1N
InChI:   InChI=1/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2

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Potential Energy
Epot(MMFF94)=39.8404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.007 g/mol  logS: -1.93872  SlogP: 1.9706  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.23205e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09874  Sterimol/B3: 2.51416
  Sterimol/B4: 5.70947  Sterimol/L: 9.70534 
 
 Surface and Volume Properties
  Accessible surface: 305.159  Positive charged surface: 108.309  Negative charged surface: 196.851  Volume: 127.875
  Hydrophobic surface: 221.112  Hydrophilic surface: 84.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.