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CHEMDIV-ZINC02939322

 MMsINC code: MMs00894571
Type: Neutral
Formula: C17H17ClF2N2O2S
SMILES:   Clc1ccc(S(=O)(=O)N2CCN(CC2)Cc2c(F)cccc2F)cc1
InChI:   InChI=1/C17H17ClF2N2O2S/c18-13-4-6-14(7-5-13)25(23,24)22-10-8-21(9-11-22)12-15-16(19)2-1-3-17(15)20/h1-7H,8-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.85 g/mol  logS: -4.43732  SlogP: 3.3911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135201  Sterimol/B1: 3.82519  Sterimol/B2: 4.36861  Sterimol/B3: 4.5103
  Sterimol/B4: 5.76084  Sterimol/L: 15.5624 
 
 Surface and Volume Properties
  Accessible surface: 574.151  Positive charged surface: 289.082  Negative charged surface: 285.069  Volume: 324.125
  Hydrophobic surface: 510.089  Hydrophilic surface: 64.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00894572
CHEMDIV-ZINC02939322