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NCID-ZINC01575096

 MMsINC code: MMs02234026
Type: Neutral
Formula: C16H10Cl2N2
SMILES:   Clc1cc(ccc1Cl)-c1n[nH]c-2c1Cc1c-2cccc1
InChI:   InChI=1/C16H10Cl2N2/c17-13-6-5-10(8-14(13)18)15-12-7-9-3-1-2-4-11(9)16(12)20-19-15/h1-6,8H,7H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=88.1058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.176 g/mol  logS: -6.23729  SlogP: 4.95467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224328  Sterimol/B1: 2.39272  Sterimol/B2: 3.37188  Sterimol/B3: 3.84228
  Sterimol/B4: 5.78867  Sterimol/L: 15.9268 
 
 Surface and Volume Properties
  Accessible surface: 498.65  Positive charged surface: 215.358  Negative charged surface: 283.292  Volume: 264.625
  Hydrophobic surface: 429.828  Hydrophilic surface: 68.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.