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ASINEX-ZINC00306473

 MMsINC code: MMs00115123
Type: Neutral
Formula: C14H21NO4S
SMILES:   S(=O)(=O)(N(CCC)CCC)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C14H21NO4S/c1-4-10-15(11-5-2)20(17,18)13-8-6-12(7-9-13)14(16)19-3/h6-9H,4-5,10-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=32.6224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.391 g/mol  logS: -2.73813  SlogP: 2.2839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884989  Sterimol/B1: 1.969  Sterimol/B2: 2.77817  Sterimol/B3: 5.27654
  Sterimol/B4: 8.06749  Sterimol/L: 16.0644 
 
 Surface and Volume Properties
  Accessible surface: 541.079  Positive charged surface: 358.511  Negative charged surface: 182.568  Volume: 287.375
  Hydrophobic surface: 403.249  Hydrophilic surface: 137.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.