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OTAVA-ZINC01019740

 MMsINC code: MMs02558834
Type: Neutral
Formula: C15H21ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)NC(C(=O)N2CC(OC(C2)C)C)C)ccc1
InChI:   InChI=1/C15H21ClN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-5-13(16)7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=52.6729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.862 g/mol  logS: -3.29684  SlogP: 1.6426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0788185  Sterimol/B1: 3.54104  Sterimol/B2: 3.71035  Sterimol/B3: 4.23827
  Sterimol/B4: 6.38568  Sterimol/L: 15.8513 
 
 Surface and Volume Properties
  Accessible surface: 579.022  Positive charged surface: 308.801  Negative charged surface: 270.221  Volume: 316.75
  Hydrophobic surface: 403.174  Hydrophilic surface: 175.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.