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CHEMDIV-ZINC06808135

 MMsINC code: MMs01035614
Type: Neutral
Formula: C19H15ClN2O3S
SMILES:   Clc1ccc(NC(=O)Nc2cc(sc2C(OC)=O)-c2ccccc2)cc1
InChI:   InChI=1/C19H15ClN2O3S/c1-25-18(23)17-15(11-16(26-17)12-5-3-2-4-6-12)22-19(24)21-14-9-7-13(20)8-10-14/h2-11H,1H3,(H2,21,22,24)

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Potential Energy
Epot(MMFF94)=80.8335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.859 g/mol  logS: -6.56992  SlogP: 5.4991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014245  Sterimol/B1: 1.96962  Sterimol/B2: 2.66031  Sterimol/B3: 2.76744
  Sterimol/B4: 12.3275  Sterimol/L: 16.9078 
 
 Surface and Volume Properties
  Accessible surface: 638.449  Positive charged surface: 329.128  Negative charged surface: 309.322  Volume: 337.875
  Hydrophobic surface: 554.152  Hydrophilic surface: 84.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.