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PUBCHEM-ZINC06472995

 MMsINC code: MMs03753283
Type: Neutral
Formula: C16H14ClFN2O2S
SMILES:   Clc1cc(N(C(=O)c2sccc2)CN2CCCC2=O)ccc1F
InChI:   InChI=1/C16H14ClFN2O2S/c17-12-9-11(5-6-13(12)18)20(10-19-7-1-4-15(19)21)16(22)14-3-2-8-23-14/h2-3,5-6,8-9H,1,4,7,10H2

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Potential Energy
Epot(MMFF94)=111.81 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.817 g/mol  logS: -4.08943  SlogP: 3.7673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122862  Sterimol/B1: 3.24807  Sterimol/B2: 4.10508  Sterimol/B3: 4.55159
  Sterimol/B4: 6.80514  Sterimol/L: 14.1515 
 
 Surface and Volume Properties
  Accessible surface: 516.823  Positive charged surface: 251.21  Negative charged surface: 265.613  Volume: 294.75
  Hydrophobic surface: 468.109  Hydrophilic surface: 48.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.