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ENAMINE-ZINC03242374

 MMsINC code: MMs01325575
Type: Neutral
Formula: C17H14ClFN2O3S2
SMILES:   Clc1c2c(sc1C(=O)NCCc1ccc(S(=O)(=O)N)cc1)cc(F)cc2
InChI:   InChI=1/C17H14ClFN2O3S2/c18-15-13-6-3-11(19)9-14(13)25-16(15)17(22)21-8-7-10-1-4-12(5-2-10)26(20,23)24/h1-6,9H,7-8H2,(H,21,22)(H2,20,23,24)

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Potential Energy
Epot(MMFF94)=29.4669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.893 g/mol  logS: -6.26961  SlogP: 3.31367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262511  Sterimol/B1: 2.42847  Sterimol/B2: 3.80288  Sterimol/B3: 4.81685
  Sterimol/B4: 5.305  Sterimol/L: 20.8337 
 
 Surface and Volume Properties
  Accessible surface: 628.963  Positive charged surface: 278.326  Negative charged surface: 344.497  Volume: 334.125
  Hydrophobic surface: 459.098  Hydrophilic surface: 169.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01325576
ENAMINE-ZINC03242374