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CHEMDIV-ZINC05084898

 MMsINC code: MMs00988683
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1sc2cc(n(c2c1)CC(=O)Nc1cc(cc(c1)C)C)C(OC)=O
InChI:   InChI=1/C18H17ClN2O3S/c1-10-4-11(2)6-12(5-10)20-17(22)9-21-13-8-16(19)25-15(13)7-14(21)18(23)24-3/h4-8H,9H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=69.4233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -5.71581  SlogP: 4.66474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160697  Sterimol/B1: 2.6049  Sterimol/B2: 5.77794  Sterimol/B3: 5.89053
  Sterimol/B4: 7.22166  Sterimol/L: 15.0728 
 
 Surface and Volume Properties
  Accessible surface: 629.23  Positive charged surface: 338.027  Negative charged surface: 291.204  Volume: 335.875
  Hydrophobic surface: 557.489  Hydrophilic surface: 71.741
 
 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.