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VITASM-ZINC04777223

 MMsINC code: MMs03965083
Type: Ionized
Formula: C15H16ClN2O4S2-
SMILES:   Clc1ccccc1CS(=O)(=O)NCCc1ccc(S(=O)([O-])=[NH])cc1
InChI:   InChI=1/C15H16ClN2O4S2/c16-15-4-2-1-3-13(15)11-23(19,20)18-10-9-12-5-7-14(8-6-12)24(17,21)22/h1-8,18H,9-11H2,(H-,17,21,22)/q-1

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Potential Energy
Epot(MMFF94)=37.5176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.888 g/mol  logS: -3.98156  SlogP: 2.24007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531932  Sterimol/B1: 3.10328  Sterimol/B2: 4.31671  Sterimol/B3: 4.41929
  Sterimol/B4: 4.58331  Sterimol/L: 19.1206 
 
 Surface and Volume Properties
  Accessible surface: 601.118  Positive charged surface: 259.182  Negative charged surface: 341.936  Volume: 321.75
  Hydrophobic surface: 417.106  Hydrophilic surface: 184.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  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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MMs03965082
VITASM-ZINC04777223