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PUBCHEM-ZINC02876269

 MMsINC code: MMs02950603
Type: Neutral
Formula: C15H15Cl2NO3S2
SMILES:   Clc1cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)ccc1OC
InChI:   InChI=1/C15H15Cl2NO3S2/c1-21-15-7-6-13(10-14(15)17)23(19,20)18-8-9-22-12-4-2-11(16)3-5-12/h2-7,10,18H,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=46.7071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.327 g/mol  logS: -5.55756  SlogP: 4.0726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691493  Sterimol/B1: 2.31823  Sterimol/B2: 2.35366  Sterimol/B3: 5.82366
  Sterimol/B4: 7.15911  Sterimol/L: 19.1158 
 
 Surface and Volume Properties
  Accessible surface: 616.79  Positive charged surface: 277.65  Negative charged surface: 339.14  Volume: 322.125
  Hydrophobic surface: 495.237  Hydrophilic surface: 121.553
 
 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.