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KEYORGANICS-ZINC01397509

 MMsINC code: MMs02104109
Type: Neutral
Formula: C19H14ClF3N2O3S
SMILES:   Clc1cc(cnc1Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C(F)(F)F
InChI:   InChI=1/C19H14ClF3N2O3S/c20-17-10-14(19(21,22)23)12-24-18(17)28-15-6-8-16(9-7-15)29(26,27)25-11-13-4-2-1-3-5-13/h1-10,12,25H,11H2

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Potential Energy
Epot(MMFF94)=58.8445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.845 g/mol  logS: -5.61743  SlogP: 5.6025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378484  Sterimol/B1: 3.29389  Sterimol/B2: 4.22588  Sterimol/B3: 4.56276
  Sterimol/B4: 5.62075  Sterimol/L: 20.4035 
 
 Surface and Volume Properties
  Accessible surface: 665.661  Positive charged surface: 281.362  Negative charged surface: 384.299  Volume: 352.5
  Hydrophobic surface: 469.4  Hydrophilic surface: 196.261
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.