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PUBCHEM-ZINC04783145

 MMsINC code: MMs03171111
Type: Ionized
Formula: C15H16ClN2O4S2-
SMILES:   Clc1ccc(cc1)CS(=O)(=O)NCCc1ccc(S(=O)([O-])=[NH])cc1
InChI:   InChI=1/C15H16ClN2O4S2/c16-14-5-1-13(2-6-14)11-23(19,20)18-10-9-12-3-7-15(8-4-12)24(17,21)22/h1-8,18H,9-11H2,(H-,17,21,22)/q-1

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Potential Energy
Epot(MMFF94)=38.7496 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: 0.0582816  Sterimol/B1: 2.50413  Sterimol/B2: 3.92893  Sterimol/B3: 4.68584
  Sterimol/B4: 5.09873  Sterimol/L: 20.349 
 
 Surface and Volume Properties
  Accessible surface: 618.889  Positive charged surface: 261.971  Negative charged surface: 356.919  Volume: 321.75
  Hydrophobic surface: 431.929  Hydrophilic surface: 186.96
 
 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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Parent related molecule:


MMs03171110
PUBCHEM-ZINC04783145