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CHEMDIV-ZINC04924110

 MMsINC code: MMs00968530
Type: Neutral
Formula: C19H16Cl2N2O
SMILES:   Clc1cc(Nc2c3CCCc3nc3c2cc(Cl)cc3)ccc1OC
InChI:   InChI=1/C19H16Cl2N2O/c1-24-18-8-6-12(10-15(18)21)22-19-13-3-2-4-16(13)23-17-7-5-11(20)9-14(17)19/h5-10H,2-4H2,1H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=100.654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.256 g/mol  logS: -5.68629  SlogP: 5.78244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11724  Sterimol/B1: 4.50488  Sterimol/B2: 4.50793  Sterimol/B3: 5.58889
  Sterimol/B4: 7.36656  Sterimol/L: 14.5038 
 
 Surface and Volume Properties
  Accessible surface: 588.173  Positive charged surface: 326.625  Negative charged surface: 259.141  Volume: 322
  Hydrophobic surface: 548.318  Hydrophilic surface: 39.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.