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SPECS-ZINC04667086

 MMsINC code: MMs03943012
Type: Neutral
Formula: C15H24ClNO3S
SMILES:   Clc1cc(S(=O)(=O)NC(CC(C)(C)C)(C)C)c(OC)cc1
InChI:   InChI=1/C15H24ClNO3S/c1-14(2,3)10-15(4,5)17-21(18,19)13-9-11(16)7-8-12(13)20-6/h7-9,17H,10H2,1-6H3

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Potential Energy
Epot(MMFF94)=153.571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.88 g/mol  logS: -4.73659  SlogP: 3.8417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299273  Sterimol/B1: 3.4298  Sterimol/B2: 3.97276  Sterimol/B3: 4.88891
  Sterimol/B4: 6.47078  Sterimol/L: 11.8115 
 
 Surface and Volume Properties
  Accessible surface: 500.61  Positive charged surface: 286.741  Negative charged surface: 213.869  Volume: 303.125
  Hydrophobic surface: 384.718  Hydrophilic surface: 115.892
 
 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.