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CHEMDIV-ZINC05084968

 MMsINC code: MMs00988697
Type: Neutral
Formula: C17H14ClFN2O3S
SMILES:   Clc1sc2cc(n(c2c1)CC(=O)Nc1cc(F)c(cc1)C)C(OC)=O
InChI:   InChI=1/C17H14ClFN2O3S/c1-9-3-4-10(5-11(9)19)20-16(22)8-21-12-7-15(18)25-14(12)6-13(21)17(23)24-2/h3-7H,8H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=64.5486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.827 g/mol  logS: -5.22342  SlogP: 4.49542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118988  Sterimol/B1: 2.60559  Sterimol/B2: 5.02236  Sterimol/B3: 6.38313
  Sterimol/B4: 6.96426  Sterimol/L: 15.2178 
 
 Surface and Volume Properties
  Accessible surface: 605.313  Positive charged surface: 304.563  Negative charged surface: 300.75  Volume: 322.125
  Hydrophobic surface: 533.192  Hydrophilic surface: 72.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.