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CHEMBRIDGE-ZINC03612864

 MMsINC code: MMs00753851
Type: Neutral
Formula: C16H18ClNO3S2
SMILES:   Clc1cc(S(=O)(=O)NCCSc2ccc(cc2)C)ccc1OC
InChI:   InChI=1/C16H18ClNO3S2/c1-12-3-5-13(6-4-12)22-10-9-18-23(19,20)14-7-8-16(21-2)15(17)11-14/h3-8,11,18H,9-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=49.4479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.909 g/mol  logS: -5.29719  SlogP: 3.72762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609838  Sterimol/B1: 2.5239  Sterimol/B2: 3.83232  Sterimol/B3: 5.66996
  Sterimol/B4: 5.78712  Sterimol/L: 18.9154 
 
 Surface and Volume Properties
  Accessible surface: 622.57  Positive charged surface: 326.339  Negative charged surface: 296.231  Volume: 326.5
  Hydrophobic surface: 499.233  Hydrophilic surface: 123.337
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.