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CHEMBRIDGE-ZINC00132961

 MMsINC code: MMs00590436
Type: Neutral
Formula: C15H13ClO3S
SMILES:   Clc1ccc(SC(=O)COc2ccc(OC)cc2)cc1
InChI:   InChI=1/C15H13ClO3S/c1-18-12-4-6-13(7-5-12)19-10-15(17)20-14-8-2-11(16)3-9-14/h2-9H,10H2,1H3

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Potential Energy
Epot(MMFF94)=73.0762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.785 g/mol  logS: -5.42298  SlogP: 4.0463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373469  Sterimol/B1: 3.21295  Sterimol/B2: 3.5794  Sterimol/B3: 3.71148
  Sterimol/B4: 4.95067  Sterimol/L: 19.4515 
 
 Surface and Volume Properties
  Accessible surface: 552.225  Positive charged surface: 287.36  Negative charged surface: 264.865  Volume: 273.25
  Hydrophobic surface: 471.686  Hydrophilic surface: 80.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.