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VITASM-ZINC04777223

 MMsINC code: MMs03965082
Type: Neutral
Formula: C15H17ClN2O4S2
SMILES:   Clc1ccccc1CS(=O)(=O)NCCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C15H17ClN2O4S2/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,(H2,17,21,22)

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Potential Energy
Epot(MMFF94)=21.0105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.896 g/mol  logS: -3.95717  SlogP: 1.91587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523132  Sterimol/B1: 3.10681  Sterimol/B2: 4.31276  Sterimol/B3: 4.34251
  Sterimol/B4: 4.56815  Sterimol/L: 18.8506 
 
 Surface and Volume Properties
  Accessible surface: 604.594  Positive charged surface: 294.859  Negative charged surface: 309.734  Volume: 321.5
  Hydrophobic surface: 399.599  Hydrophilic surface: 204.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03965083
VITASM-ZINC04777223