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KEYORGANICS-ZINC01382325

 MMsINC code: MMs02094107
Type: Neutral
Formula: C18H10ClF5N2O3S
SMILES:   Clc1cc(cnc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)C(F)(F)F
InChI:   InChI=1/C18H10ClF5N2O3S/c19-14-7-10(18(22,23)24)9-25-17(14)29-12-2-4-13(5-3-12)30(27,28)26-16-6-1-11(20)8-15(16)21/h1-9,26H

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Potential Energy
Epot(MMFF94)=80.9761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.798 g/mol  logS: -6.26335  SlogP: 5.9366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673159  Sterimol/B1: 2.93571  Sterimol/B2: 4.86269  Sterimol/B3: 4.92531
  Sterimol/B4: 5.99952  Sterimol/L: 16.9642 
 
 Surface and Volume Properties
  Accessible surface: 631.904  Positive charged surface: 231.245  Negative charged surface: 400.659  Volume: 340.125
  Hydrophobic surface: 441.223  Hydrophilic surface: 190.681
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.