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PUBCHEM-ZINC06467862

 MMsINC code: MMs03749552
Type: Neutral
Formula: C15H13ClOS
SMILES:   Clc1cc(ccc1)C(=O)C(Sc1ccccc1)C
InChI:   InChI=1/C15H13ClOS/c1-11(18-14-8-3-2-4-9-14)15(17)12-6-5-7-13(16)10-12/h2-11H,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=65.9791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.787 g/mol  logS: -5.56703  SlogP: 4.7035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145865  Sterimol/B1: 2.15592  Sterimol/B2: 4.13087  Sterimol/B3: 4.57394
  Sterimol/B4: 7.42138  Sterimol/L: 13.2114 
 
 Surface and Volume Properties
  Accessible surface: 486.549  Positive charged surface: 213.287  Negative charged surface: 273.262  Volume: 257.25
  Hydrophobic surface: 414.953  Hydrophilic surface: 71.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.