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IBS-ZINC05452125

 MMsINC code: MMs01948872
Type: Neutral
Formula: C23H18ClNO3
SMILES:   Clc1cc(ccc1)COc1cc(O)c(cc1)-c1onc(C)c1-c1ccccc1
InChI:   InChI=1/C23H18ClNO3/c1-15-22(17-7-3-2-4-8-17)23(28-25-15)20-11-10-19(13-21(20)26)27-14-16-6-5-9-18(24)12-16/h2-13,26H,14H2,1H3

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Potential Energy
Epot(MMFF94)=128.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.854 g/mol  logS: -7.3568  SlogP: 6.52142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555729  Sterimol/B1: 3.62199  Sterimol/B2: 4.74639  Sterimol/B3: 4.81659
  Sterimol/B4: 6.91318  Sterimol/L: 18.6318 
 
 Surface and Volume Properties
  Accessible surface: 661.767  Positive charged surface: 342.349  Negative charged surface: 319.418  Volume: 362.375
  Hydrophobic surface: 582.676  Hydrophilic surface: 79.091
 
 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.