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CHEMDIV-ZINC07005298

 MMsINC code: MMs01070731
Type: Neutral
Formula: C18H16ClFN2O4S
SMILES:   Clc1cc(F)ccc1NS(=O)(=O)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C18H16ClFN2O4S/c1-10-11(2)21-26-18(10)12-4-7-16(25-3)17(8-12)27(23,24)22-15-6-5-13(20)9-14(15)19/h4-9,22H,1-3H3

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Potential Energy
Epot(MMFF94)=87.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.853 g/mol  logS: -5.64176  SlogP: 4.56034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146249  Sterimol/B1: 2.00824  Sterimol/B2: 6.12084  Sterimol/B3: 6.17276
  Sterimol/B4: 6.18272  Sterimol/L: 16.0511 
 
 Surface and Volume Properties
  Accessible surface: 608.076  Positive charged surface: 299.231  Negative charged surface: 308.845  Volume: 339.75
  Hydrophobic surface: 507.849  Hydrophilic surface: 100.227
 
 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.