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CHEMBRIDGE-ZINC04845536

 MMsINC code: MMs00801965
Type: Neutral
Formula: C15H10ClFN2O3S
SMILES:   Clc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1C(O)=O
InChI:   InChI=1/C15H10ClFN2O3S/c16-11-7-8(5-6-9(11)14(21)22)18-15(23)19-13(20)10-3-1-2-4-12(10)17/h1-7H,(H,21,22)(H2,18,19,20,23)

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Potential Energy
Epot(MMFF94)=124.651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.773 g/mol  logS: -5.81703  SlogP: 3.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149649  Sterimol/B1: 2.61508  Sterimol/B2: 2.8973  Sterimol/B3: 3.45028
  Sterimol/B4: 5.81983  Sterimol/L: 18.4275 
 
 Surface and Volume Properties
  Accessible surface: 540.232  Positive charged surface: 246.779  Negative charged surface: 293.453  Volume: 283.25
  Hydrophobic surface: 348.583  Hydrophilic surface: 191.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00801966
CHEMBRIDGE-ZINC04845536