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IBS-ZINC05483711

 MMsINC code: MMs01952563
Type: Neutral
Formula: C24H20ClNO3
SMILES:   Clc1ccc(cc1)-c1c(onc1C)-c1ccc(OCc2ccccc2C)cc1O
InChI:   InChI=1/C24H20ClNO3/c1-15-5-3-4-6-18(15)14-28-20-11-12-21(22(27)13-20)24-23(16(2)26-29-24)17-7-9-19(25)10-8-17/h3-13,27H,14H2,1-2H3

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Potential Energy
Epot(MMFF94)=135.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.881 g/mol  logS: -7.83072  SlogP: 6.82984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263118  Sterimol/B1: 3.32902  Sterimol/B2: 3.53726  Sterimol/B3: 4.87867
  Sterimol/B4: 8.16407  Sterimol/L: 18.7 
 
 Surface and Volume Properties
  Accessible surface: 670.977  Positive charged surface: 351.139  Negative charged surface: 319.839  Volume: 381.25
  Hydrophobic surface: 599.909  Hydrophilic surface: 71.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.