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ASINEX-ZINC00710275

 MMsINC code: MMs00151529
Type: Neutral
Formula: C16H21NO6S
SMILES:   s1c(C(OCC)=O)c(C)c(C(OCC)=O)c1NC(=O)C1OCCC1
InChI:   InChI=1/C16H21NO6S/c1-4-21-15(19)11-9(3)12(16(20)22-5-2)24-14(11)17-13(18)10-7-6-8-23-10/h10H,4-8H2,1-3H3,(H,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=85.2118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.411 g/mol  logS: -3.97827  SlogP: 2.52742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545083  Sterimol/B1: 2.09684  Sterimol/B2: 2.34884  Sterimol/B3: 4.92497
  Sterimol/B4: 10.9978  Sterimol/L: 16.2443 
 
 Surface and Volume Properties
  Accessible surface: 634.92  Positive charged surface: 426.196  Negative charged surface: 208.724  Volume: 322
  Hydrophobic surface: 481.867  Hydrophilic surface: 153.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.