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CHEMBRIDGE-ZINC02857363

 MMsINC code: MMs00727761
Type: Neutral
Formula: C23H18ClNO3
SMILES:   Clc1ccccc1-c1c(onc1C)-c1ccc(OCc2ccccc2)cc1O
InChI:   InChI=1/C23H18ClNO3/c1-15-22(18-9-5-6-10-20(18)24)23(28-25-15)19-12-11-17(13-21(19)26)27-14-16-7-3-2-4-8-16/h2-13,26H,14H2,1H3

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Potential Energy
Epot(MMFF94)=124.361 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: 0.0610287  Sterimol/B1: 3.55612  Sterimol/B2: 4.81482  Sterimol/B3: 4.83133
  Sterimol/B4: 6.90719  Sterimol/L: 18.6313 
 
 Surface and Volume Properties
  Accessible surface: 655.258  Positive charged surface: 343.518  Negative charged surface: 311.739  Volume: 364.25
  Hydrophobic surface: 576.167  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.