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CHEMDIV-ZINC03638892

 MMsINC code: MMs00912906
Type: Neutral
Formula: C23H19Cl2NO2
SMILES:   Clc1ccc(Cl)cc1OCc1ccc(cc1)C(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C23H19Cl2NO2/c24-20-9-10-21(25)22(13-20)28-15-16-5-7-18(8-6-16)23(27)26-12-11-17-3-1-2-4-19(17)14-26/h1-10,13H,11-12,14-15H2

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Potential Energy
Epot(MMFF94)=114.016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.316 g/mol  logS: -6.66365  SlogP: 6.30367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037587  Sterimol/B1: 3.1546  Sterimol/B2: 3.40361  Sterimol/B3: 3.85895
  Sterimol/B4: 7.31068  Sterimol/L: 19.3053 
 
 Surface and Volume Properties
  Accessible surface: 679.711  Positive charged surface: 330.106  Negative charged surface: 349.605  Volume: 375.25
  Hydrophobic surface: 643.258  Hydrophilic surface: 36.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.