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NCID-ZINC01639807

 MMsINC code: MMs02281983
Type: Neutral
Formula: C19H16Cl2N2
SMILES:   Clc1ccc(cc1)-c1n(nc-2c1CCc1c-2cccc1)CCCl
InChI:   InChI=1/C19H16Cl2N2/c20-11-12-23-19(14-5-8-15(21)9-6-14)17-10-7-13-3-1-2-4-16(13)18(17)22-23/h1-6,8-9H,7,10-12H2

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Potential Energy
Epot(MMFF94)=72.0678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.257 g/mol  logS: -6.53721  SlogP: 5.47424  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0664144  Sterimol/B1: 3.0922  Sterimol/B2: 3.45755  Sterimol/B3: 4.52015
  Sterimol/B4: 6.42435  Sterimol/L: 16.0716 
 
 Surface and Volume Properties
  Accessible surface: 574.792  Positive charged surface: 283.156  Negative charged surface: 291.636  Volume: 312.5
  Hydrophobic surface: 479.003  Hydrophilic surface: 95.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.