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ENAMINE-ZINC05127139

 MMsINC code: MMs01590526
Type: Neutral
Formula: C14H11BrClNO3S
SMILES:   Brc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)C)cc1
InChI:   InChI=1/C14H11BrClNO3S/c1-9(18)11-4-2-3-5-13(11)17-21(19,20)14-7-6-10(15)8-12(14)16/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=56.4249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.669 g/mol  logS: -5.18367  SlogP: 4.1059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981171  Sterimol/B1: 3.44874  Sterimol/B2: 4.05054  Sterimol/B3: 4.53376
  Sterimol/B4: 5.77616  Sterimol/L: 14.833 
 
 Surface and Volume Properties
  Accessible surface: 522.411  Positive charged surface: 186.492  Negative charged surface: 335.918  Volume: 286.5
  Hydrophobic surface: 425.803  Hydrophilic surface: 96.608
 
 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.